5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide

C10H12N6OS — CID 114409687

IUPAC5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
SMILESCc1nnc(Sc2nc(C(N)=O)ccc2N)n1C
InChIInChI=1S/C10H12N6OS/c1-5-14-15-10(16(5)2)18-9-6(11)3-4-7(13-9)8(12)17/h3-4H,11H2,1-2H3,(H2,12,17)
InChIKeyDRAYEUBLXMXLBM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.35
Rot. Bonds3

About 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide

5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide (PubChem CID 114409687) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
PubChem CID114409687
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
SMILESCc1nnc(Sc2nc(C(N)=O)ccc2N)n1C
InChIInChI=1S/C10H12N6OS/c1-5-14-15-10(16(5)2)18-9-6(11)3-4-7(13-9)8(12)17/h3-4H,11H2,1-2H3,(H2,12,17)
InChIKeyDRAYEUBLXMXLBM-UHFFFAOYSA-N
XLogP0.35
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide (CID 114409687) is 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide is Cc1nnc(Sc2nc(C(N)=O)ccc2N)n1C.
What is the InChIKey of 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
The InChIKey is DRAYEUBLXMXLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-5-14-15-10(16(5)2)18-9-6(11)3-4-7(13-9)8(12)17/h3-4H,11H2,1-2H3,(H2,12,17).
What are the key properties of 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 114409687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).