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

C10H12F3N3O — CID 116984684

IUPAC1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESNCc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)8-6-3-1-2-4-16(6)7(5-14)15-8/h1-5,14H2
InChIKeyFMNVHUZYYYNVLF-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.42
Rot. Bonds2

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

1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 116984684) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
PubChem CID116984684
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESNCc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)8-6-3-1-2-4-16(6)7(5-14)15-8/h1-5,14H2
InChIKeyFMNVHUZYYYNVLF-UHFFFAOYSA-N
XLogP1.42
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (CID 116984684) is 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is NCc1nc(C(=O)C(F)(F)F)c2n1CCCC2.
What is the InChIKey of 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is FMNVHUZYYYNVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(17)8-6-3-1-2-4-16(6)7(5-14)15-8/h1-5,14H2.
What are the key properties of 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 247.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 116984684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).