Common name
1-ethyl-4-methyl-tetrazol-5-one
IUPAC name
1-ethyl-4-methyl-tetrazol-5-one
SMILES
C(C)n1c(=O)n(nn1)C
Common name
1-ethyl-4-methyl-tetrazol-5-one
IUPAC name
1-ethyl-4-methyl-tetrazol-5-one
SMILES
C(C)n1c(=O)n(nn1)C
INCHI
InChI=1S/C4H8N4O/c1-3-8-4(9)7(2)5-6-8/h3H2,1-2H3
FORMULA
C4H8N4O
Common name
1-ethyl-4-methyl-tetrazol-5-one
IUPAC name
1-ethyl-4-methyl-tetrazol-5-one
Molecular weight
130.148
clogP
-4.173
clogS
0.041
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
44.37
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00664 | Alfentanil |
|
Anesthetics, Intravenous; Analgesics, Opioid; Narcotics; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; CYP3A4 Inhibitors; | For the management of postoperative pain and the maintenance of general anesthesia. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yix_ligand_2_0.mol2 | 2yix | 0.4 | -6.28 | CCNC(=O)NC | 7 |
| 4x6n_ligand_3_40.mol2 | 4x6n | 0.4 | -5.80 | C(=O)(NCC)NC | 7 |
| 4x6m_ligand_3_37.mol2 | 4x6m | 0.4 | -5.77 | C(NC(=O)NC)C | 7 |
| 2fw3_ligand_3_238.mol2 | 2fw3 | 0.4 | -5.75 | CNC(=O)NCC | 7 |
115 ,
12
