2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine

C19H14ClN5S — CID 71449574

IUPAC2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine
SMILESClc1cccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1
InChIInChI=1S/C19H14ClN5S/c20-15-6-4-5-14(11-15)13-26-19-24-23-18(17-12-21-9-10-22-17)25(19)16-7-2-1-3-8-16/h1-12H,13H2
InChIKeyQXWAWVGUDRLLTK-UHFFFAOYSA-N
MW379.88 g/mol
LogP4.67
Rot. Bonds5

About 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine

2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 71449574) has the molecular formula C19H14ClN5S and a molecular weight of 379.88 g/mol. Its IUPAC name is 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID71449574
Molecular FormulaC19H14ClN5S
Molecular Weight379.88 g/mol
Exact Mass379.07
IUPAC Name2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine
SMILESClc1cccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1
InChIInChI=1S/C19H14ClN5S/c20-15-6-4-5-14(11-15)13-26-19-24-23-18(17-12-21-9-10-22-17)25(19)16-7-2-1-3-8-16/h1-12H,13H2
InChIKeyQXWAWVGUDRLLTK-UHFFFAOYSA-N
XLogP4.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine 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

3-[(3-chlorophenyl)methylsulfanyl]-5-(2-methylphenyl)-4-phenyl-1,2,4-triazole
CID 7123542
2-[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine
CID 938500
3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 1156631
3-[(3-chlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-5-methyl-1,2,4-triazole
CID 126112402
2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
CID 2037386
3-benzylsulfanyl-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 2223427
4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 758286
3-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 7205567
3-[(3-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 3949955
N-[2-(3-chlorophenyl)ethyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 39731190
N-(2-phenylphenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2026816
4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridin-2-amine
CID 99800781

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine (CID 71449574) is 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine is Clc1cccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1.
What is the InChIKey of 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is QXWAWVGUDRLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5S/c20-15-6-4-5-14(11-15)13-26-19-24-23-18(17-12-21-9-10-22-17)25(19)16-7-2-1-3-8-16/h1-12H,13H2.
What are the key properties of 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine?
2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 379.88 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 71449574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).