6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid

C8H7N5O2 — CID 154664447

IUPAC6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid
SMILESNc1ccc(-n2nccn2)c(C(=O)O)n1
InChIInChI=1S/C8H7N5O2/c9-6-2-1-5(7(12-6)8(14)15)13-10-3-4-11-13/h1-4H,(H2,9,12)(H,14,15)
InChIKeyJSHSUYIWKMFAAI-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.06
Rot. Bonds2

About 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid

6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid (PubChem CID 154664447) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid
PubChem CID154664447
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid
SMILESNc1ccc(-n2nccn2)c(C(=O)O)n1
InChIInChI=1S/C8H7N5O2/c9-6-2-1-5(7(12-6)8(14)15)13-10-3-4-11-13/h1-4H,(H2,9,12)(H,14,15)
InChIKeyJSHSUYIWKMFAAI-UHFFFAOYSA-N
XLogP-0.06
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid (CID 154664447) is 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid is Nc1ccc(-n2nccn2)c(C(=O)O)n1.
What is the InChIKey of 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The InChIKey is JSHSUYIWKMFAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-6-2-1-5(7(12-6)8(14)15)13-10-3-4-11-13/h1-4H,(H2,9,12)(H,14,15).
What are the key properties of 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid?
6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(triazol-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 154664447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).