[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C15H13F3N4 — CID 117143372

IUPAC[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(Cc3ccccc3C(F)(F)F)nnc2c1
InChIInChI=1S/C15H13F3N4/c16-15(17,18)12-4-2-1-3-11(12)8-14-21-20-13-7-10(9-19)5-6-22(13)14/h1-7H,8-9,19H2
InChIKeyRIFLPMGYNRTQOI-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.80
Rot. Bonds3

About [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 117143372) has the molecular formula C15H13F3N4 and a molecular weight of 306.29 g/mol. Its IUPAC name is [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID117143372
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(Cc3ccccc3C(F)(F)F)nnc2c1
InChIInChI=1S/C15H13F3N4/c16-15(17,18)12-4-2-1-3-11(12)8-14-21-20-13-7-10(9-19)5-6-22(13)14/h1-7H,8-9,19H2
InChIKeyRIFLPMGYNRTQOI-UHFFFAOYSA-N
XLogP2.80
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 117143372) is [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is NCc1ccn2c(Cc3ccccc3C(F)(F)F)nnc2c1.
What is the InChIKey of [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is RIFLPMGYNRTQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c16-15(17,18)12-4-2-1-3-11(12)8-14-21-20-13-7-10(9-19)5-6-22(13)14/h1-7H,8-9,19H2.
What are the key properties of [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 306.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).