5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C17H18F3N3O — CID 24772386

IUPAC5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC(C)C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2cncn21
InChIInChI=1S/C17H18F3N3O/c1-11(2)15-16(24)22(9-14-7-21-10-23(14)15)8-12-3-5-13(6-4-12)17(18,19)20/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyMTTNJCLFWNWOAE-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.64
Rot. Bonds3

About 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 24772386) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID24772386
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC(C)C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2cncn21
InChIInChI=1S/C17H18F3N3O/c1-11(2)15-16(24)22(9-14-7-21-10-23(14)15)8-12-3-5-13(6-4-12)17(18,19)20/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyMTTNJCLFWNWOAE-UHFFFAOYSA-N
XLogP3.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 24772386) is 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC(C)C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2cncn21.
What is the InChIKey of 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is MTTNJCLFWNWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-11(2)15-16(24)22(9-14-7-21-10-23(14)15)8-12-3-5-13(6-4-12)17(18,19)20/h3-7,10-11,15H,8-9H2,1-2H3.
What are the key properties of 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 337.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 24772386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).