IUPAC name
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILES
ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1
Compound class
Antidepressive Agents, Second-Generation; Anti-Anxiety Agents; Serotonin Uptake Inhibitors; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of depression.
Common name
Trazodone
IUPAC name
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILES
ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1
INCHI
InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
FORMULA
C19H22ClN5O
Common name
Trazodone
IUPAC name
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight
371.864
clogP
1.716
clogS
-3.658
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
45.78
Number of Rings
4
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| 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 |
| FDBF01502 | 2H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
|
O=c1[nH]nc2n1cccc2 | 0.0003 |
