IUPAC name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES
CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1
Compound class
Antidepressive Agents, Second-Generation; Adrenergic alpha-1 Receptor Antagonists; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of depression.
Common name
Nefazodone
IUPAC name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES
CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1
INCHI
InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
FORMULA
C25H32ClN5O2
Common name
Nefazodone
IUPAC name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Molecular weight
470.007
clogP
3.529
clogS
-5.600
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
55.53
Number of Rings
4
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF02591 | 2-methyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc[nH]1)C | 0.0010 |
| FDBF02594 | 5-ethyl-2-methyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc([nH]1)CC)C | 0.0007 |
| FDBF02595 | 3-ethyl-4-methyl-1H-1,2,4-triazol-5-one |
|
O=c1[nH]nc(n1C)CC | 0.0003 |
| FDBF02596 | 4-ethyl-1H-1,2,4-triazol-5-one |
|
CCn1c(=O)[nH]nc1 | 0.0007 |
| FDBF02598 | 2,5-diethyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc([nH]1)CC)CC | 0.0007 |
