4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C20H19N5OS — CID 1434258

IUPAC4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c(SCc3cccnc3)nnc2n1C1CCCC1
InChIInChI=1S/C20H19N5OS/c26-18-16-9-3-4-10-17(16)25-19(24(18)15-7-1-2-8-15)22-23-20(25)27-13-14-6-5-11-21-12-14/h3-6,9-12,15H,1-2,7-8,13H2
InChIKeyQVXIKXYGYRSRED-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.85
Rot. Bonds4

About 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 1434258) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID1434258
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c(SCc3cccnc3)nnc2n1C1CCCC1
InChIInChI=1S/C20H19N5OS/c26-18-16-9-3-4-10-17(16)25-19(24(18)15-7-1-2-8-15)22-23-20(25)27-13-14-6-5-11-21-12-14/h3-6,9-12,15H,1-2,7-8,13H2
InChIKeyQVXIKXYGYRSRED-UHFFFAOYSA-N
XLogP3.85
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentyl-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091375
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanone
CID 1429309
3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 52566767
N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 50837148
1-[(6-chloro-3-pyridinyl)methylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38863077
1-[(3-fluorophenyl)methylsulfanyl]-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 50773876
1-benzylsulfanyl-4-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24573522
1-(oxan-2-ylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42966744
4-[(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]benzonitrile
CID 2634173
4-benzyl-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 32973600
3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 53366599
1-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55308389

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 1434258) is 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is O=c1c2ccccc2n2c(SCc3cccnc3)nnc2n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is QVXIKXYGYRSRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-18-16-9-3-4-10-17(16)25-19(24(18)15-7-1-2-8-15)22-23-20(25)27-13-14-6-5-11-21-12-14/h3-6,9-12,15H,1-2,7-8,13H2.
What are the key properties of 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 377.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 1434258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).