2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine

C14H11ClN4S — CID 864005

IUPAC2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine
SMILESClc1ccccc1CSc1nncn1-c1ccccn1
InChIInChI=1S/C14H11ClN4S/c15-12-6-2-1-5-11(12)9-20-14-18-17-10-19(14)13-7-3-4-8-16-13/h1-8,10H,9H2
InChIKeyAXLDMTUMXVNQCU-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.61
Rot. Bonds4

About 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine

2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 864005) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine
PubChem CID864005
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine
SMILESClc1ccccc1CSc1nncn1-c1ccccn1
InChIInChI=1S/C14H11ClN4S/c15-12-6-2-1-5-11(12)9-20-14-18-17-10-19(14)13-7-3-4-8-16-13/h1-8,10H,9H2
InChIKeyAXLDMTUMXVNQCU-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine 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

1,2-bis[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol
CID 2974870
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
N-(4-methylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 863992
3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole
CID 3526547
3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1129848
3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 7672143
N-(2-methylcyclohexyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3718907
N-(2,3-dimethylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 863990
(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-dimethoxyphenyl)methanimine
CID 7574946
3-[(2-chlorophenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole
CID 19717350
2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 1264926
4-phenyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 8896274

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine (CID 864005) is 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine is Clc1ccccc1CSc1nncn1-c1ccccn1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is AXLDMTUMXVNQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-12-6-2-1-5-11(12)9-20-14-18-17-10-19(14)13-7-3-4-8-16-13/h1-8,10H,9H2.
What are the key properties of 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine?
2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 302.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 864005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).