Responsive image

Common name

N-ethyl-4-methyl-6-phenyl-pyridazin-3-amine

IUPAC name

N-ethyl-4-methyl-6-phenyl-pyridazin-3-amine

SMILES

c1(ccccc1)c2nnc(c(c2)C)NCC

Common name

N-ethyl-4-methyl-6-phenyl-pyridazin-3-amine

IUPAC name

N-ethyl-4-methyl-6-phenyl-pyridazin-3-amine

SMILES

c1(ccccc1)c2nnc(c(c2)C)NCC

INCHI

InChI=1S/C13H15N3/c1-3-14-13-10(2)9-12(15-16-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,16)

FORMULA

C13H15N3

Responsive image

Common name

N-ethyl-4-methyl-6-phenyl-pyridazin-3-amine

IUPAC name

N-ethyl-4-methyl-6-phenyl-pyridazin-3-amine





Molecular weight

213.278

clogP

2.962

clogS

-4.499

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

37.81

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00667 Minaprine Responsive image Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); For the treatment of depression.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4f9w_ligand.mol2 4f9w 0.686957 -9.86 CN(C)c1nnc(c(c2ccncc2)c1)c1cc2ccccc2cc1 26
4f9y_ligand.mol2 4f9y 0.686957 -9.58 CN(C)c1nnc(c(c2ccncc2)c1)c1c2ccccc2ccc1 26
4r3c_ligand.mol2 4r3c 0.65625 -9.85 C[NH+]1CCN(CC1)c1cc(c2ccncc2)c(nn1)c1cc2ccccc2cc1 30
1yqj_ligand.mol2 1yqj 0.559211 -11.32 c1(nnc(c(c2ccncc2)c1)c1cc2c(cc1)cccc2)N1C[C@H](Cc2ccccc2)[NH2+]CC1 36
4zom_ligand_1_0.mol2 4zom 0.530973 -7.59 c1c(cccc1)c1cc(NC(=O)C)[nH+][nH]1 15
4xsz_ligand.mol2 4xsz 0.496296 -9.14 c1(F)ccc(cc1)c1c(c2ccc(NCC[NH+]3CC[NH2+]CC3)c(c2)C(F)(F)F)cn[nH]1 32
4z7h_ligand_3_3.mol2 4z7h 0.483221 -8.75 N(c1ccc2[n+](n1)c(c[nH]2)c1ccccc1)C(C)C 19
3hqy_ligand_3_16.mol2 3hqy 0.474227 -7.40 c1c(c([nH+][nH]1)c1ccc(cc1)O)C 13
4zom_ligand_2_0.mol2 4zom 0.470149 -8.25 C(C)(C)[n+]1c(c2ccccc2)cc(NC(=O)C)[nH]1 18
102 , 11