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

C10H10N4O4 — CID 114207633

IUPAC4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCn1cnc(Cn2c(C(=O)O)cc(O)cc2=O)n1
InChIInChI=1S/C10H10N4O4/c1-13-5-11-8(12-13)4-14-7(10(17)18)2-6(15)3-9(14)16/h2-3,5,15H,4H2,1H3,(H,17,18)
InChIKeyZBXBTYJMUADVDV-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.57
Rot. Bonds3

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

4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 114207633) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
PubChem CID114207633
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCn1cnc(Cn2c(C(=O)O)cc(O)cc2=O)n1
InChIInChI=1S/C10H10N4O4/c1-13-5-11-8(12-13)4-14-7(10(17)18)2-6(15)3-9(14)16/h2-3,5,15H,4H2,1H3,(H,17,18)
InChIKeyZBXBTYJMUADVDV-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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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207556
4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207480
4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207382
1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207432
6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 114207634
4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid
CID 114207490
4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207651
2-[[4-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114125661
4-hydroxy-1-(6-methyl-3-pyridinyl)-6-oxopyridine-2-carboxylic acid
CID 114207546
3-[[2,5-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)pyrrol-1-yl]methyl]-1-methyl-1,2,4-triazole
CID 22948900
1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one
CID 82503073
4-hydroxy-6-methyl-1-(2-oxopropyl)pyridin-2-one
CID 59085682

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid (CID 114207633) is 4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid is Cn1cnc(Cn2c(C(=O)O)cc(O)cc2=O)n1.
What is the InChIKey of 4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is ZBXBTYJMUADVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-13-5-11-8(12-13)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-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid?
4-hydroxy-1-[(1-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-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).