1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid

C8H6N4O3 — CID 168934979

IUPAC1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1ncn(-c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C8H6N4O3/c13-6-3-5(1-2-9-6)12-4-10-7(11-12)8(14)15/h1-4H,(H,9,13)(H,14,15)
InChIKeyZCTNUZQUMFXQCF-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.35
Rot. Bonds2

About 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid

1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid (PubChem CID 168934979) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid
PubChem CID168934979
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1ncn(-c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C8H6N4O3/c13-6-3-5(1-2-9-6)12-4-10-7(11-12)8(14)15/h1-4H,(H,9,13)(H,14,15)
InChIKeyZCTNUZQUMFXQCF-UHFFFAOYSA-N
XLogP-0.35
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid
CID 168934909
1-(5-chloro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid
CID 168934645
1-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid
CID 168934669
4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934704
1-(2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid
CID 168934836
1-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carbaldehyde
CID 176078476
1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carbaldehyde
CID 176078478
Methyl 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,4-triazole-3-carboxylate
CID 81667204
Methyl 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 81667652

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid (CID 168934979) is 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid is O=C(O)c1ncn(-c2cc[nH]c(=O)c2)n1.
What is the InChIKey of 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid?
The InChIKey is ZCTNUZQUMFXQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c13-6-3-5(1-2-9-6)12-4-10-7(11-12)8(14)15/h1-4H,(H,9,13)(H,14,15).
What are the key properties of 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid?
1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 168934979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).