3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one

C15H15N3O — CID 53172172

IUPAC3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1ncc2c(=O)n(CCc3ccccc3)ccn12
InChIInChI=1S/C15H15N3O/c1-12-16-11-14-15(19)17(9-10-18(12)14)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3
InChIKeyKCVBOBUFIYRTPS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.05
Rot. Bonds3

About 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one

3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 53172172) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one
PubChem CID53172172
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1ncc2c(=O)n(CCc3ccccc3)ccn12
InChIInChI=1S/C15H15N3O/c1-12-16-11-14-15(19)17(9-10-18(12)14)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3
InChIKeyKCVBOBUFIYRTPS-UHFFFAOYSA-N
XLogP2.05
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fenethylline
CID 19527
3-Benzyl-7-ethyl-3,7-dihydro-1H-purine-2,6-dione
CID 3681703
(1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 914663
Stk237441
CID 2785128
3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione
CID 95028
1,3-Dimethyl-8-(4-methyl-piperazin-1-ylmethyl)-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione
CID 646648
8-[(Benzyl-methyl-amino)-methyl]-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione
CID 651947
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
CID 662859
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
CID 663312
4-[(5-Formylimidazol-1-yl)methyl]benzonitrile
CID 10632289
8-Amino-9-benzylguanine
CID 135408972
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one (CID 53172172) is 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one is Cc1ncc2c(=O)n(CCc3ccccc3)ccn12.
What is the InChIKey of 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is KCVBOBUFIYRTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-12-16-11-14-15(19)17(9-10-18(12)14)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one?
3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 253.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 53172172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).