5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

C8H8N6OS — CID 114409315

IUPAC5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2ncn[nH]2)n1
InChIInChI=1S/C8H8N6OS/c9-4-1-2-5(6(10)15)13-7(4)16-8-11-3-12-14-8/h1-3H,9H2,(H2,10,15)(H,11,12,14)
InChIKeySROZDPQQHSDSJC-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.03
Rot. Bonds3

About 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 114409315) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID114409315
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2ncn[nH]2)n1
InChIInChI=1S/C8H8N6OS/c9-4-1-2-5(6(10)15)13-7(4)16-8-11-3-12-14-8/h1-3H,9H2,(H2,10,15)(H,11,12,14)
InChIKeySROZDPQQHSDSJC-UHFFFAOYSA-N
XLogP0.03
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 114409315) is 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(Sc2ncn[nH]2)n1.
What is the InChIKey of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is SROZDPQQHSDSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c9-4-1-2-5(6(10)15)13-7(4)16-8-11-3-12-14-8/h1-3H,9H2,(H2,10,15)(H,11,12,14).
What are the key properties of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 114409315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).