5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid

C9H6N6O2 — CID 81439996

IUPAC5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1ncn(-c2ncc(C(=O)O)cc2N)n1
InChIInChI=1S/C9H6N6O2/c10-2-7-13-4-15(14-7)8-6(11)1-5(3-12-8)9(16)17/h1,3-4H,11H2,(H,16,17)
InChIKeyRXGPPWUKYIZDAJ-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.19
Rot. Bonds2

About 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid

5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 81439996) has the molecular formula C9H6N6O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
PubChem CID81439996
Molecular FormulaC9H6N6O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1ncn(-c2ncc(C(=O)O)cc2N)n1
InChIInChI=1S/C9H6N6O2/c10-2-7-13-4-15(14-7)8-6(11)1-5(3-12-8)9(16)17/h1,3-4H,11H2,(H,16,17)
InChIKeyRXGPPWUKYIZDAJ-UHFFFAOYSA-N
XLogP-0.19
TPSA130.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid (CID 81439996) is 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid is N#Cc1ncn(-c2ncc(C(=O)O)cc2N)n1.
What is the InChIKey of 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is RXGPPWUKYIZDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O2/c10-2-7-13-4-15(14-7)8-6(11)1-5(3-12-8)9(16)17/h1,3-4H,11H2,(H,16,17).
What are the key properties of 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid?
5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 230.19 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-cyano-1,2,4-triazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81439996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).