3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

C7H8N4O — CID 665130

IUPAC3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(C)n[nH]c2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)11-5(2)9-10-7(11)8-4/h3H,1-2H3,(H,8,10)
InChIKeyUWDLQMHXJXYGEW-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.03
Rot. Bonds

About 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 665130) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID665130
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(C)n[nH]c2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)11-5(2)9-10-7(11)8-4/h3H,1-2H3,(H,8,10)
InChIKeyUWDLQMHXJXYGEW-UHFFFAOYSA-N
XLogP0.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 665130) is 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is Cc1cc(=O)n2c(C)n[nH]c2n1.
What is the InChIKey of 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is UWDLQMHXJXYGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-3-6(12)11-5(2)9-10-7(11)8-4/h3H,1-2H3,(H,8,10).
What are the key properties of 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 164.17 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 665130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).