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

C11H11N5O3 — CID 113447474

IUPAC3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCc1nc(C(=O)Nc2cccnc2C(=O)O)n[nH]1
InChIInChI=1S/C11H11N5O3/c1-2-7-14-9(16-15-7)10(17)13-6-4-3-5-12-8(6)11(18)19/h3-5H,2H2,1H3,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyDFUQBYRXBRCUNY-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.71
Rot. Bonds4

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

3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 113447474) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID113447474
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCc1nc(C(=O)Nc2cccnc2C(=O)O)n[nH]1
InChIInChI=1S/C11H11N5O3/c1-2-7-14-9(16-15-7)10(17)13-6-4-3-5-12-8(6)11(18)19/h3-5H,2H2,1H3,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyDFUQBYRXBRCUNY-UHFFFAOYSA-N
XLogP0.71
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid (CID 113447474) is 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid is CCc1nc(C(=O)Nc2cccnc2C(=O)O)n[nH]1.
What is the InChIKey of 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DFUQBYRXBRCUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-2-7-14-9(16-15-7)10(17)13-6-4-3-5-12-8(6)11(18)19/h3-5H,2H2,1H3,(H,13,17)(H,18,19)(H,14,15,16).
What are the key properties of 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113447474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).