6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C12H13N5O3 — CID 63331341

IUPAC6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCn1cnnc1CCNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H13N5O3/c1-17-7-14-16-10(17)5-6-13-11(18)8-3-2-4-9(15-8)12(19)20/h2-4,7H,5-6H2,1H3,(H,13,18)(H,19,20)
InChIKeyYPDOIDDMUYXUKP-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.12
Rot. Bonds5

About 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 63331341) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID63331341
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCn1cnnc1CCNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H13N5O3/c1-17-7-14-16-10(17)5-6-13-11(18)8-3-2-4-9(15-8)12(19)20/h2-4,7H,5-6H2,1H3,(H,13,18)(H,19,20)
InChIKeyYPDOIDDMUYXUKP-UHFFFAOYSA-N
XLogP-0.12
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63331339
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 63330785
5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
3-fluoro-2-(methylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63331174
2,6-dichloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 63330503
6-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62237331
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzoic acid
CID 63330396
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
4-(chloromethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63330313
(2R)-2-benzylsulfanyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 95339530

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 63331341) is 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is Cn1cnnc1CCNC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YPDOIDDMUYXUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-17-7-14-16-10(17)5-6-13-11(18)8-3-2-4-9(15-8)12(19)20/h2-4,7H,5-6H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63331341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).