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

C6H6N4O — CID 136815158

IUPAC7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1cc2ncnn2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-4-2-5-7-3-8-10(5)6(11)9-4/h2-3H,1H3,(H,9,11)
InChIKeyXWWKLSWBGHVZQQ-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.27
Rot. Bonds

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

7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (PubChem CID 136815158) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
PubChem CID136815158
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1cc2ncnn2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-4-2-5-7-3-8-10(5)6(11)9-4/h2-3H,1H3,(H,9,11)
InChIKeyXWWKLSWBGHVZQQ-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 7-methyl-6H-[1,2,4]triazolo[1,5-c]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 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The IUPAC name of 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (CID 136815158) is 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is Cc1cc2ncnn2c(=O)[nH]1.
What is the InChIKey of 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The InChIKey is XWWKLSWBGHVZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-2-5-7-3-8-10(5)6(11)9-4/h2-3H,1H3,(H,9,11).
What are the key properties of 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-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 7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 136815158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).