1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone

C9H10F3N3O — CID 116984694

IUPAC1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESNc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7(16)6-5-3-1-2-4-15(5)8(13)14-6/h1-4H2,(H2,13,14)
InChIKeySLEMKVYCJCHUSB-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.55
Rot. Bonds1

About 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone

1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 116984694) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
PubChem CID116984694
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESNc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7(16)6-5-3-1-2-4-15(5)8(13)14-6/h1-4H2,(H2,13,14)
InChIKeySLEMKVYCJCHUSB-UHFFFAOYSA-N
XLogP1.55
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (CID 116984694) is 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is Nc1nc(C(=O)C(F)(F)F)c2n1CCCC2.
What is the InChIKey of 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is SLEMKVYCJCHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)7(16)6-5-3-1-2-4-15(5)8(13)14-6/h1-4H2,(H2,13,14).
What are the key properties of 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 233.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 116984694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).