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

C9H11F3N3OPt- — CID 59872715

IUPAC1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum
SMILESC=C1C2C[N-]CCN2C(=O)N1CC(F)(F)F.[Pt]
InChIInChI=1S/C9H11F3N3O.Pt/c1-6-7-4-13-2-3-14(7)8(16)15(6)5-9(10,11)12;/h7H,1-5H2;/q-1;
InChIKeyYZFJZLPRBHBWAK-UHFFFAOYSA-N
MW429.28 g/mol
LogP1.55
Rot. Bonds1

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

1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum (PubChem CID 59872715) has the molecular formula C9H11F3N3OPt- and a molecular weight of 429.28 g/mol. Its IUPAC name is 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum.

Molecular Properties

Compound Name1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum
PubChem CID59872715
Molecular FormulaC9H11F3N3OPt-
Molecular Weight429.28 g/mol
Exact Mass429.05
IUPAC Name1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum
SMILESC=C1C2C[N-]CCN2C(=O)N1CC(F)(F)F.[Pt]
InChIInChI=1S/C9H11F3N3O.Pt/c1-6-7-4-13-2-3-14(7)8(16)15(6)5-9(10,11)12;/h7H,1-5H2;/q-1;
InChIKeyYZFJZLPRBHBWAK-UHFFFAOYSA-N
XLogP1.55
TPSA37.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum?
The IUPAC name of 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum (CID 59872715) is 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum.
What is the SMILES notation for 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum?
The canonical SMILES for 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum is C=C1C2C[N-]CCN2C(=O)N1CC(F)(F)F.[Pt].
What is the InChIKey of 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum?
The InChIKey is YZFJZLPRBHBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N3O.Pt/c1-6-7-4-13-2-3-14(7)8(16)15(6)5-9(10,11)12;/h7H,1-5H2;/q-1;.
What are the key properties of 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum?
1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum has a molecular weight of 429.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-id-3-one;platinum is sourced from PubChem (CID 59872715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).