2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

C7H6N4O3 — CID 3108028

IUPAC2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2ncc(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C7H6N4O3/c1-3-9-7-8-2-4(6(13)14)5(12)11(7)10-3/h2H,1H3,(H,13,14)(H,8,9,10)
InChIKeyGRFFCRIIYZSEAF-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.58
Rot. Bonds1

About 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 3108028) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID3108028
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2ncc(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C7H6N4O3/c1-3-9-7-8-2-4(6(13)14)5(12)11(7)10-3/h2H,1H3,(H,13,14)(H,8,9,10)
InChIKeyGRFFCRIIYZSEAF-UHFFFAOYSA-N
XLogP-0.58
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 3108028) is 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nc2ncc(C(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is GRFFCRIIYZSEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-3-9-7-8-2-4(6(13)14)5(12)11(7)10-3/h2H,1H3,(H,13,14)(H,8,9,10).
What are the key properties of 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 3108028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).