1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid

C10H8N6O3 — CID 66282018

IUPAC1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid
SMILESCc1nc(-n2ccc(C(=O)O)n2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H8N6O3/c1-5-11-7(4-8-12-13-10(19)16(5)8)15-3-2-6(14-15)9(17)18/h2-4H,1H3,(H,13,19)(H,17,18)
InChIKeyWYJGMMUFFRIIRK-UHFFFAOYSA-N
MW260.21 g/mol
LogP-0.39
Rot. Bonds2

About 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid

1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid (PubChem CID 66282018) has the molecular formula C10H8N6O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid
PubChem CID66282018
Molecular FormulaC10H8N6O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid
SMILESCc1nc(-n2ccc(C(=O)O)n2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H8N6O3/c1-5-11-7(4-8-12-13-10(19)16(5)8)15-3-2-6(14-15)9(17)18/h2-4H,1H3,(H,13,19)(H,17,18)
InChIKeyWYJGMMUFFRIIRK-UHFFFAOYSA-N
XLogP-0.39
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid (CID 66282018) is 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid is Cc1nc(-n2ccc(C(=O)O)n2)cc2n[nH]c(=O)n12.
What is the InChIKey of 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid?
The InChIKey is WYJGMMUFFRIIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O3/c1-5-11-7(4-8-12-13-10(19)16(5)8)15-3-2-6(14-15)9(17)18/h2-4H,1H3,(H,13,19)(H,17,18).
What are the key properties of 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid?
1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 66282018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).