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

C11H11N5O3 — CID 60754840

IUPAC6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H11N5O3/c1-16-6-14-15-9(16)5-13-10(17)8-3-2-7(4-12-8)11(18)19/h2-4,6H,5H2,1H3,(H,13,17)(H,18,19)
InChIKeyGDGGNHCRXMLTCU-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.16
Rot. Bonds4

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

6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 60754840) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID60754840
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H11N5O3/c1-16-6-14-15-9(16)5-13-10(17)8-3-2-7(4-12-8)11(18)19/h2-4,6H,5H2,1H3,(H,13,17)(H,18,19)
InChIKeyGDGGNHCRXMLTCU-UHFFFAOYSA-N
XLogP-0.16
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55218411
6-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridazine-3-carboxamide
CID 62180418
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103706759
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 54904691
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 80688805
3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]benzoic acid
CID 62118709
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62179357
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 60754840) is 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid is Cn1cnnc1CNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is GDGGNHCRXMLTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-16-6-14-15-9(16)5-13-10(17)8-3-2-7(4-12-8)11(18)19/h2-4,6H,5H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 60754840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).