6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid

C11H11N5O3 — CID 64519091

IUPAC6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H11N5O3/c1-16(5-9-12-6-13-15-9)10(17)7-3-2-4-8(14-7)11(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,12,13,15)
InChIKeyPJIQHWHESSGSPW-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.17
Rot. Bonds4

About 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid

6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 64519091) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID64519091
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H11N5O3/c1-16(5-9-12-6-13-15-9)10(17)7-3-2-4-8(14-7)11(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,12,13,15)
InChIKeyPJIQHWHESSGSPW-UHFFFAOYSA-N
XLogP0.17
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]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

N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64517564
4-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-2-carboxamide
CID 64511871
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827
N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
CID 64510855
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
6-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64519120
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518148
2,6-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64516867
N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
CID 64510105
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
CID 64518344

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid (CID 64519091) is 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is CN(Cc1ncn[nH]1)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is PJIQHWHESSGSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-16(5-9-12-6-13-15-9)10(17)7-3-2-4-8(14-7)11(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,12,13,15).
What are the key properties of 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid?
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 64519091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).