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

C12H13N5O3 — CID 104740309

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

3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104740309) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
• PubChem CID: 104740309
• Molecular Formula: C12H13N5O3
• Molecular Weight: 275.27 g/mol
• Exact Mass: 275.10
• IUPAC Name: 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
• SMILES: CC(C)c1nc(C(=O)Nc2cccnc2C(=O)O)n[nH]1
• InChI: InChI=1S/C12H13N5O3/c1-6(2)9-15-10(17-16-9)11(18)14-7-4-3-5-13-8(7)12(19)20/h3-6H,1-2H3,(H,14,18)(H,19,20)(H,15,16,17)
• InChIKey: PZXLKWKMPJWESA-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 120.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.27
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?

The IUPAC name of 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid (CID 104740309) is 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid.

What is the SMILES notation for 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?

The canonical SMILES for 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid is CC(C)c1nc(C(=O)Nc2cccnc2C(=O)O)n[nH]1.

What is the InChIKey of 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?

The InChIKey is PZXLKWKMPJWESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-6(2)9-15-10(17-16-9)11(18)14-7-4-3-5-13-8(7)12(19)20/h3-6H,1-2H3,(H,14,18)(H,19,20)(H,15,16,17).

What are the key properties of 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?

3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).