3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine

C15H16F3N3 — CID 117150332

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2cnc(Cc3ccc(C(F)(F)F)cc3)n21
InChIInChI=1S/C15H16F3N3/c16-15(17,18)11-6-4-10(5-7-11)8-14-20-9-12-2-1-3-13(19)21(12)14/h4-7,9,13H,1-3,8,19H2
InChIKeyXERXTJIDZFABNM-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.29
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine

3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine (PubChem CID 117150332) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
PubChem CID117150332
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2cnc(Cc3ccc(C(F)(F)F)cc3)n21
InChIInChI=1S/C15H16F3N3/c16-15(17,18)11-6-4-10(5-7-11)8-14-20-9-12-2-1-3-13(19)21(12)14/h4-7,9,13H,1-3,8,19H2
InChIKeyXERXTJIDZFABNM-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine (CID 117150332) is 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine is NC1CCCc2cnc(Cc3ccc(C(F)(F)F)cc3)n21.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine?
The InChIKey is XERXTJIDZFABNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)11-6-4-10(5-7-11)8-14-20-9-12-2-1-3-13(19)21(12)14/h4-7,9,13H,1-3,8,19H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine?
3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine has a molecular weight of 295.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117150332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).