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

C12H12N4O — CID 53328899

IUPAC4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCN1C(=O)CC(c2ccccc2)n2ncnc21
InChIInChI=1S/C12H12N4O/c1-15-11(17)7-10(9-5-3-2-4-6-9)16-12(15)13-8-14-16/h2-6,8,10H,7H2,1H3
InChIKeyMVFKVQVRNHCAMU-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.23
Rot. Bonds1

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

4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 53328899) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID53328899
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCN1C(=O)CC(c2ccccc2)n2ncnc21
InChIInChI=1S/C12H12N4O/c1-15-11(17)7-10(9-5-3-2-4-6-9)16-12(15)13-8-14-16/h2-6,8,10H,7H2,1H3
InChIKeyMVFKVQVRNHCAMU-UHFFFAOYSA-N
XLogP1.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 53328899) is 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CN1C(=O)CC(c2ccccc2)n2ncnc21.
What is the InChIKey of 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MVFKVQVRNHCAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-15-11(17)7-10(9-5-3-2-4-6-9)16-12(15)13-8-14-16/h2-6,8,10H,7H2,1H3.
What are the key properties of 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 228.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 53328899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).