1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine

C11H12F3N3 — CID 167296068

IUPAC1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/C1=Cc2cnc(C)n2C(C)C1)C(F)(F)F
InChIInChI=1S/C11H12F3N3/c1-6-3-8(10(15)11(12,13)14)4-9-5-16-7(2)17(6)9/h4-6,15H,3H2,1-2H3/b15-10-
InChIKeyRGBPERXCURRZGV-GDNBJRDFSA-N
MW243.23 g/mol
LogP3.12
Rot. Bonds1

About 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine

1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine (PubChem CID 167296068) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine
PubChem CID167296068
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/C1=Cc2cnc(C)n2C(C)C1)C(F)(F)F
InChIInChI=1S/C11H12F3N3/c1-6-3-8(10(15)11(12,13)14)4-9-5-16-7(2)17(6)9/h4-6,15H,3H2,1-2H3/b15-10-
InChIKeyRGBPERXCURRZGV-GDNBJRDFSA-N
XLogP3.12
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine?
The IUPAC name of 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine (CID 167296068) is 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine.
What is the SMILES notation for 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine?
The canonical SMILES for 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine is [H]/N=C(/C1=Cc2cnc(C)n2C(C)C1)C(F)(F)F.
What is the InChIKey of 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine?
The InChIKey is RGBPERXCURRZGV-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-6-3-8(10(15)11(12,13)14)4-9-5-16-7(2)17(6)9/h4-6,15H,3H2,1-2H3/b15-10-.
What are the key properties of 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine?
1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine has a molecular weight of 243.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-5,6-dihydroimidazo[1,5-a]pyridin-7-yl)-2,2,2-trifluoroethanimine is sourced from PubChem (CID 167296068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).