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 |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF01498 | 1-(3-chlorophenyl)piperazine |
|
N1CCN(CC1)c2cc(ccc2)Cl | 0.0014 |
| FDBF01499 | 1-(3-chlorophenyl)-4-methyl-piperazine |
|
CN1CCN(CC1)c2cc(ccc2)Cl | 0.0014 |
| FDBF01500 | 1-(3-chlorophenyl)-4-ethyl-piperazine |
|
CCN1CCN(CC1)c2cc(ccc2)Cl | 0.0014 |
| FDBF01501 | 1-(3-chlorophenyl)-4-propyl-piperazine |
|
CCCN1CCN(CC1)c2cc(ccc2)Cl | 0.0010 |
| FDBF02592 | 4-methyl-1H-1,2,4-triazol-5-one |
|
O=c1[nH]ncn1C | 0.0003 |
| FDBF02593 | 2-ethyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc[nH]1)CC | 0.0010 |
| FDBF02597 | 2-propyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc[nH]1)CCC | 0.0010 |
| FDBF02599 | 3,4-diethyl-1H-1,2,4-triazol-5-one |
|
CCn1c(=O)[nH]nc1CC | 0.0007 |
