N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine

C16H15F3N4O — CID 166277278

IUPACN-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESFC(F)(F)c1ccccc1OCCNCc1cccc2ncnn12
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-5-1-2-6-14(13)24-9-8-20-10-12-4-3-7-15-21-11-22-23(12)15/h1-7,11,20H,8-10H2
InChIKeyVPNSAUDZWBXSDS-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.92
Rot. Bonds6

About N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine

N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 166277278) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
PubChem CID166277278
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESFC(F)(F)c1ccccc1OCCNCc1cccc2ncnn12
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-5-1-2-6-14(13)24-9-8-20-10-12-4-3-7-15-21-11-22-23(12)15/h1-7,11,20H,8-10H2
InChIKeyVPNSAUDZWBXSDS-UHFFFAOYSA-N
XLogP2.92
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine with MolForge

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Related Compounds

N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-(1H-imidazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 119126165
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide
CID 69274934
2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]acetamide;hydrochloride
CID 69274933
N',N'-diethyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethane-1,2-diamine
CID 62570841
6-bromo-5-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrimidin-4-amine
CID 13075477
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393
3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505711
N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293620
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine (CID 166277278) is N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine is FC(F)(F)c1ccccc1OCCNCc1cccc2ncnn12.
What is the InChIKey of N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is VPNSAUDZWBXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)13-5-1-2-6-14(13)24-9-8-20-10-12-4-3-7-15-21-11-22-23(12)15/h1-7,11,20H,8-10H2.
What are the key properties of N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 336.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 166277278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).