[2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine

C15H13F3N4 — CID 117137186

IUPAC[2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2nc(Cc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H13F3N4/c16-15(17,18)12-5-1-3-10(7-12)8-13-20-14-11(9-19)4-2-6-22(14)21-13/h1-7H,8-9,19H2
InChIKeyBKUOUDTXZCCGJR-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.80
Rot. Bonds3

About [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine

[2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine (PubChem CID 117137186) has the molecular formula C15H13F3N4 and a molecular weight of 306.29 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
PubChem CID117137186
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name[2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2nc(Cc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H13F3N4/c16-15(17,18)12-5-1-3-10(7-12)8-13-20-14-11(9-19)4-2-6-22(14)21-13/h1-7H,8-9,19H2
InChIKeyBKUOUDTXZCCGJR-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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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
7-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156872
[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methanamine
CID 117258138
[2-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135042
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
The IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine (CID 117137186) is [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
The canonical SMILES for [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine is NCc1cccn2nc(Cc3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
The InChIKey is BKUOUDTXZCCGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c16-15(17,18)12-5-1-3-10(7-12)8-13-20-14-11(9-19)4-2-6-22(14)21-13/h1-7H,8-9,19H2.
What are the key properties of [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine?
[2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-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 [2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 117137186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).