2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine

C14H11F3N4O — CID 117257862

IUPAC2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(COc3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)10-3-1-2-4-11(10)22-8-12-19-13-7-9(18)5-6-21(13)20-12/h1-7H,8,18H2
InChIKeyXSFKBGINQOPPFM-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.91
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine

2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 117257862) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID117257862
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(COc3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)10-3-1-2-4-11(10)22-8-12-19-13-7-9(18)5-6-21(13)20-12/h1-7H,8,18H2
InChIKeyXSFKBGINQOPPFM-UHFFFAOYSA-N
XLogP2.91
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135042
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
2-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133413
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
CID 63316113
2-[[4-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 117257744
[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methanamine
CID 117258138
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
CID 117215893
2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117257564
2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257850
2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134890
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 117257862) is 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine is Nc1ccn2nc(COc3ccccc3C(F)(F)F)nc2c1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is XSFKBGINQOPPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c15-14(16,17)10-3-1-2-4-11(10)22-8-12-19-13-7-9(18)5-6-21(13)20-12/h1-7H,8,18H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 308.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117257862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).