5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide

C9H10N6OS — CID 61359981

IUPAC5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide
SMILESCc1nc(Sc2ncc(N)cc2C(N)=O)n[nH]1
InChIInChI=1S/C9H10N6OS/c1-4-13-9(15-14-4)17-8-6(7(11)16)2-5(10)3-12-8/h2-3H,10H2,1H3,(H2,11,16)(H,13,14,15)
InChIKeyKPQZMFSAEOAGRG-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.34
Rot. Bonds3

About 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide

5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide (PubChem CID 61359981) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide
PubChem CID61359981
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide
SMILESCc1nc(Sc2ncc(N)cc2C(N)=O)n[nH]1
InChIInChI=1S/C9H10N6OS/c1-4-13-9(15-14-4)17-8-6(7(11)16)2-5(10)3-12-8/h2-3H,10H2,1H3,(H2,11,16)(H,13,14,15)
InChIKeyKPQZMFSAEOAGRG-UHFFFAOYSA-N
XLogP0.34
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide 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 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide (CID 61359981) is 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide is Cc1nc(Sc2ncc(N)cc2C(N)=O)n[nH]1.
What is the InChIKey of 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide?
The InChIKey is KPQZMFSAEOAGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c1-4-13-9(15-14-4)17-8-6(7(11)16)2-5(10)3-12-8/h2-3H,10H2,1H3,(H2,11,16)(H,13,14,15).
What are the key properties of 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide?
5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 61359981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).