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

C11H12N4O3 — CID 114207634

IUPAC6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1Cc1ncn(C)n1
InChIInChI=1S/C11H12N4O3/c1-7-3-9(16)8(11(17)18)4-15(7)5-10-12-6-14(2)13-10/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyIFYPETNIEGPHOM-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.03
Rot. Bonds3

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

6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 114207634) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID114207634
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1Cc1ncn(C)n1
InChIInChI=1S/C11H12N4O3/c1-7-3-9(16)8(11(17)18)4-15(7)5-10-12-6-14(2)13-10/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyIFYPETNIEGPHOM-UHFFFAOYSA-N
XLogP0.03
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid
CID 114038878
4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207633
6-methyl-4-oxo-1-(thian-2-ylmethyl)pyridine-3-carboxylic acid
CID 114207539
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
3-bromo-4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole
CID 22948913
1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
CID 70608832
5-bromo-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 114895918
1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole
CID 22948920
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
3-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931736

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid (CID 114207634) is 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)cn1Cc1ncn(C)n1.
What is the InChIKey of 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is IFYPETNIEGPHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-3-9(16)8(11(17)18)4-15(7)5-10-12-6-14(2)13-10/h3-4,6H,5H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid?
6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 114207634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).