7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one

C10H14F3N3O — CID 59872717

IUPAC7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESC=C1C2CN(C)CCN2C(=O)N1CC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-7-8-5-14(2)3-4-15(8)9(17)16(7)6-10(11,12)13/h8H,1,3-6H2,2H3
InChIKeyBQXFUWPGSUYPPT-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.11
Rot. Bonds1

About 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one

7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 59872717) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID59872717
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one
SMILESC=C1C2CN(C)CCN2C(=O)N1CC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-7-8-5-14(2)3-4-15(8)9(17)16(7)6-10(11,12)13/h8H,1,3-6H2,2H3
InChIKeyBQXFUWPGSUYPPT-UHFFFAOYSA-N
XLogP1.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one (CID 59872717) is 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one is C=C1C2CN(C)CCN2C(=O)N1CC(F)(F)F.
What is the InChIKey of 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BQXFUWPGSUYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-8-5-14(2)3-4-15(8)9(17)16(7)6-10(11,12)13/h8H,1,3-6H2,2H3.
What are the key properties of 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one?
7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 249.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 59872717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).