1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one

C9H12F3N3O — CID 59872716

IUPAC1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one
SMILESC=C1C2CNCCN2C(=O)N1CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-6-7-4-13-2-3-14(7)8(16)15(6)5-9(10,11)12/h7,13H,1-5H2
InChIKeyZZPZPRXEFNSNFL-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.77
Rot. Bonds1

About 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one

1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 59872716) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID59872716
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one
SMILESC=C1C2CNCCN2C(=O)N1CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-6-7-4-13-2-3-14(7)8(16)15(6)5-9(10,11)12/h7,13H,1-5H2
InChIKeyZZPZPRXEFNSNFL-UHFFFAOYSA-N
XLogP0.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one (CID 59872716) is 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one is C=C1C2CNCCN2C(=O)N1CC(F)(F)F.
What is the InChIKey of 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZZPZPRXEFNSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6-7-4-13-2-3-14(7)8(16)15(6)5-9(10,11)12/h7,13H,1-5H2.
What are the key properties of 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one?
1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 235.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 59872716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).