6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid

C13H10N4O3 — CID 53353057

IUPAC6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESCc1ccc(-c2cn3nnc(C(=O)O)c3c(=O)[nH]2)cc1
InChIInChI=1S/C13H10N4O3/c1-7-2-4-8(5-3-7)9-6-17-11(12(18)14-9)10(13(19)20)15-16-17/h2-6H,1H3,(H,14,18)(H,19,20)
InChIKeyWELSEYKITDQJQL-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.09
Rot. Bonds2

About 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid

6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 53353057) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID53353057
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESCc1ccc(-c2cn3nnc(C(=O)O)c3c(=O)[nH]2)cc1
InChIInChI=1S/C13H10N4O3/c1-7-2-4-8(5-3-7)9-6-17-11(12(18)14-9)10(13(19)20)15-16-17/h2-6H,1H3,(H,14,18)(H,19,20)
InChIKeyWELSEYKITDQJQL-UHFFFAOYSA-N
XLogP1.09
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid (CID 53353057) is 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid is Cc1ccc(-c2cn3nnc(C(=O)O)c3c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is WELSEYKITDQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-7-2-4-8(5-3-7)9-6-17-11(12(18)14-9)10(13(19)20)15-16-17/h2-6H,1H3,(H,14,18)(H,19,20).
What are the key properties of 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid?
6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 53353057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).