2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C14H15F3N4 — CID 117155697

IUPAC2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2nc(Cc3ccccc3C(F)(F)F)nn21
InChIInChI=1S/C14H15F3N4/c15-14(16,17)10-5-2-1-4-9(10)8-12-19-13-7-3-6-11(18)21(13)20-12/h1-2,4-5,11H,3,6-8,18H2
InChIKeyYTIIXRZIOOTAIH-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.68
Rot. Bonds2

About 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 117155697) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID117155697
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2nc(Cc3ccccc3C(F)(F)F)nn21
InChIInChI=1S/C14H15F3N4/c15-14(16,17)10-5-2-1-4-9(10)8-12-19-13-7-3-6-11(18)21(13)20-12/h1-2,4-5,11H,3,6-8,18H2
InChIKeyYTIIXRZIOOTAIH-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 117155697) is 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is NC1CCCc2nc(Cc3ccccc3C(F)(F)F)nn21.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is YTIIXRZIOOTAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)10-5-2-1-4-9(10)8-12-19-13-7-3-6-11(18)21(13)20-12/h1-2,4-5,11H,3,6-8,18H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 296.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117155697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).