Responsive image

Common name

1-methyl-1,2,4-triazole

IUPAC name

1-methyl-1,2,4-triazole

SMILES

n1(ncnc1)C

Common name

1-methyl-1,2,4-triazole

IUPAC name

1-methyl-1,2,4-triazole

SMILES

n1(ncnc1)C

INCHI

InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3

FORMULA

C3H5N3

Responsive image

Common name

1-methyl-1,2,4-triazole

IUPAC name

1-methyl-1,2,4-triazole





Molecular weight

84.100

clogP

-0.960

clogS

-0.015

Frequency

0.0038





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

32.56

Number of Rings

1

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00085 Fluconazole Responsive image Antifungal Agents; 14-alpha Demethylase Inhibitors; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Triazole Derivatives; Antimycotics for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of fungal infections.
FDBD00139 Terconazole Responsive image Antifungal Agents; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Triazole Derivatives; For the treatment of candidiasis (a yeast-like fungal infection) of the vulva and vagina.
FDBD00447 Voriconazole Responsive image Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives for Systemic Use; Triazole Derivatives; Antimycotics for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; For the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by .
FDBD00808 Rizatriptan Responsive image Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; For treatment of acute migraine attacks with or without aura.
FDBD00860 Letrozole Responsive image Antineoplastic Agents; Aromatase Inhibitors; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; For the extended adjuvant treatment of early breast cancer in postmenopausal women who have received 5 years of adjuvant tamoxifen therapy. Also for first-line treatment of postmenopausal women with hormone receptor positive or hormone receptor unknown locally advanced or metastatic breast cancer. Also indicated for the treatment of advanced breast cancer in postmenopausal women with disease progression following antiestrogen therapy.
FDBD01013 Itraconazole Responsive image Antifungal Agents; Antiprotozoal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives for Systemic Use; Triazole Derivatives; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of the following fungal infections in immunocompromised and non-immunocompromised patients: pulmonary and extrapulmonary blastomycosis, histoplasmosis, aspergillosis, and onychomycosis.
FDBD01063 Anastrozole Responsive image Antineoplastic Agents, Hormonal; Aromatase Inhibitors; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; For adjuvant treatment of hormone receptor positive breast cancer , as well as hormonal treatment of advanced breast cancer in post-menopausal women. Has also been used to treat pubertal gynecomastia and McCune-Albright syndrome; however, manufacturer states that efficacy for these indications have not been established.
FDBD01105 Posaconazole Responsive image Antifungal Agents; 14-alpha Demethylase Inhibitors; Trypanocidal Agents; Antiinfectives for Systemic Use; Triazole Derivatives; Antimycotics for Systemic Use; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For prophylaxis of invasive .
FDBD01145 Forasartan Responsive image Angiotensin Receptor Antagonists; Angiotensin II Receptor Antagonists; For the treatment of hypertension.
FDBD01427 Isavuconazonium Responsive image CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; Indicated in the treatment of invasive aspergillosis and invasive mucormycosis.
11 , 2
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2c1p_ligand_1_2.mol2 2c1p 1 -5.48 c1[nH][n+](cn1)C 6
5afv_ligand_1_4.mol2 5afv 1 -5.48 C[n+]1c[nH]cn1 6
2c5y_ligand_1_0.mol2 2c5y 1 -5.44 C[n+]1c[nH]cn1 6
2c5x_ligand_1_0.mol2 2c5x 1 -5.37 c1[nH]cn[n+]1C 6
2wd3_ligand_1_2.mol2 2wd3 1 -5.22 [nH]1cn[n+](c1)C 6
4pjt_ligand_frag_2.mol2 4pjt 1 -5.18 c1[nH]cn[n+]1C 6
102 , 11