3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid

C12H11N5O3 — CID 104739841

IUPAC3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H11N5O3/c18-11(10-15-9(16-17-10)6-3-4-6)14-7-2-1-5-13-8(7)12(19)20/h1-2,5-6H,3-4H2,(H,14,18)(H,19,20)(H,15,16,17)
InChIKeyRQXNUDSIEXJLLE-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.03
Rot. Bonds4

About 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid

3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104739841) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104739841
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C12H11N5O3/c18-11(10-15-9(16-17-10)6-3-4-6)14-7-2-1-5-13-8(7)12(19)20/h1-2,5-6H,3-4H2,(H,14,18)(H,19,20)(H,15,16,17)
InChIKeyRQXNUDSIEXJLLE-UHFFFAOYSA-N
XLogP1.03
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid (CID 104739841) is 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid is O=C(Nc1cccnc1C(=O)O)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is RQXNUDSIEXJLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c18-11(10-15-9(16-17-10)6-3-4-6)14-7-2-1-5-13-8(7)12(19)20/h1-2,5-6H,3-4H2,(H,14,18)(H,19,20)(H,15,16,17).
What are the key properties of 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).