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

C6H6N4O — CID 14366580

IUPAC2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nccc(=O)n2[nH]1
InChIInChI=1S/C6H6N4O/c1-4-8-6-7-3-2-5(11)10(6)9-4/h2-3H,1H3,(H,7,8,9)
InChIKeyDHHATAVQBKRQAK-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.27
Rot. Bonds

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

2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 14366580) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID14366580
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nccc(=O)n2[nH]1
InChIInChI=1S/C6H6N4O/c1-4-8-6-7-3-2-5(11)10(6)9-4/h2-3H,1H3,(H,7,8,9)
InChIKeyDHHATAVQBKRQAK-UHFFFAOYSA-N
XLogP-0.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1H-[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 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 14366580) is 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nccc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DHHATAVQBKRQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-8-6-7-3-2-5(11)10(6)9-4/h2-3H,1H3,(H,7,8,9).
What are the key properties of 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 150.14 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 14366580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).