5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C6H6N4O — CID 90445551

IUPAC5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1=Nc2ncnn2C(=O)C1
InChIInChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h3H,2H2,1H3
InChIKeyYOCXDGBQQYVALU-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.41
Rot. Bonds

About 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 90445551) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID90445551
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1=Nc2ncnn2C(=O)C1
InChIInChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h3H,2H2,1H3
InChIKeyYOCXDGBQQYVALU-UHFFFAOYSA-N
XLogP0.41
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 90445551) is 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC1=Nc2ncnn2C(=O)C1.
What is the InChIKey of 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YOCXDGBQQYVALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h3H,2H2,1H3.
What are the key properties of 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 150.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90445551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).