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

C10H10N4O4 — CID 114207480

IUPAC4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCn1cnnc1Cn1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C10H10N4O4/c1-13-5-11-12-8(13)4-14-7(10(17)18)2-6(15)3-9(14)16/h2-3,5,15H,4H2,1H3,(H,17,18)
InChIKeyFJHKAWKIKFVGIS-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.57
Rot. Bonds3

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

4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 114207480) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
PubChem CID114207480
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCn1cnnc1Cn1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C10H10N4O4/c1-13-5-11-12-8(13)4-14-7(10(17)18)2-6(15)3-9(14)16/h2-3,5,15H,4H2,1H3,(H,17,18)
InChIKeyFJHKAWKIKFVGIS-UHFFFAOYSA-N
XLogP-0.57
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid (CID 114207480) is 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid is Cn1cnnc1Cn1c(C(=O)O)cc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is FJHKAWKIKFVGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-13-5-11-12-8(13)4-14-7(10(17)18)2-6(15)3-9(14)16/h2-3,5,15H,4H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).