Common name
1,4-diethyltetrazol-5-one
IUPAC name
1,4-diethyltetrazol-5-one
SMILES
C(C)n1c(=O)n(nn1)CC
Common name
1,4-diethyltetrazol-5-one
IUPAC name
1,4-diethyltetrazol-5-one
SMILES
C(C)n1c(=O)n(nn1)CC
INCHI
InChI=1S/C5H10N4O/c1-3-8-5(10)9(4-2)7-6-8/h3-4H2,1-2H3
FORMULA
C5H10N4O
Common name
1,4-diethyltetrazol-5-one
IUPAC name
1,4-diethyltetrazol-5-one
Molecular weight
144.175
clogP
-3.961
clogS
-0.378
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
44.37
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 2fw3_ligand_4_573.mol2 | 2fw3 | 0.416667 | -5.95 | CCNC(=O)NCC | 8 |
| 4mc6_ligand_3_53.mol2 | 4mc6 | 0.405405 | -6.88 | C(C)(C)(C)NC(=O)NCC | 10 |
| 2yix_ligand_2_0.mol2 | 2yix | 0.388889 | -6.28 | CCNC(=O)NC | 7 |
119 ,
12
