5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C11H11N5O3 — CID 114168195

IUPAC5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)nc1)c1ncn[nH]1
InChIInChI=1S/C11H11N5O3/c1-6(9-13-5-14-16-9)15-10(17)7-2-3-8(11(18)19)12-4-7/h2-6H,1H3,(H,15,17)(H,18,19)(H,13,14,16)
InChIKeyOSFONFVGKXOEKY-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.39
Rot. Bonds4

About 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 114168195) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID114168195
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)nc1)c1ncn[nH]1
InChIInChI=1S/C11H11N5O3/c1-6(9-13-5-14-16-9)15-10(17)7-2-3-8(11(18)19)12-4-7/h2-6H,1H3,(H,15,17)(H,18,19)(H,13,14,16)
InChIKeyOSFONFVGKXOEKY-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
5-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106283130
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716266
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 114168195) is 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)nc1)c1ncn[nH]1.
What is the InChIKey of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OSFONFVGKXOEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-6(9-13-5-14-16-9)15-10(17)7-2-3-8(11(18)19)12-4-7/h2-6H,1H3,(H,15,17)(H,18,19)(H,13,14,16).
What are the key properties of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).