N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H12N6OS — CID 937680

IUPACN-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1ccccn1
InChIInChI=1S/C14H12N6OS/c21-12(17-11-3-1-2-6-16-11)9-22-14-18-13(19-20-14)10-4-7-15-8-5-10/h1-8H,9H2,(H,16,17,21)(H,18,19,20)
InChIKeyLIHLOEOUTPHHJI-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.99
Rot. Bonds5

About N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 937680) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID937680
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC NameN-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1ccccn1
InChIInChI=1S/C14H12N6OS/c21-12(17-11-3-1-2-6-16-11)9-22-14-18-13(19-20-14)10-4-7-15-8-5-10/h1-8H,9H2,(H,16,17,21)(H,18,19,20)
InChIKeyLIHLOEOUTPHHJI-UHFFFAOYSA-N
XLogP1.99
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 937680) is N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is LIHLOEOUTPHHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c21-12(17-11-3-1-2-6-16-11)9-22-14-18-13(19-20-14)10-4-7-15-8-5-10/h1-8H,9H2,(H,16,17,21)(H,18,19,20).
What are the key properties of N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 312.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 937680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).