3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one

C7H8N4O — CID 12527221

IUPAC3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCc1ncn2c(=O)n(C)cnc12
InChIInChI=1S/C7H8N4O/c1-5-6-9-3-10(2)7(12)11(6)4-8-5/h3-4H,1-2H3
InChIKeyWAGGLHPFZDAMPY-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.26
Rot. Bonds

About 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one

3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 12527221) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID12527221
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCc1ncn2c(=O)n(C)cnc12
InChIInChI=1S/C7H8N4O/c1-5-6-9-3-10(2)7(12)11(6)4-8-5/h3-4H,1-2H3
InChIKeyWAGGLHPFZDAMPY-UHFFFAOYSA-N
XLogP-0.26
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one (CID 12527221) is 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one is Cc1ncn2c(=O)n(C)cnc12.
What is the InChIKey of 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is WAGGLHPFZDAMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5-6-9-3-10(2)7(12)11(6)4-8-5/h3-4H,1-2H3.
What are the key properties of 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one?
3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 164.17 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylimidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 12527221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).