5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H14F3N5O — CID 67293414

IUPAC5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)10-4-6-11(7-5-10)20-14-21-12-2-1-3-13(23(12)22-14)24-9-8-19/h1-7H,8-9,19H2,(H,20,22)
InChIKeyAZQSAUUAFWUWJV-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.83
Rot. Bonds5

About 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67293414) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67293414
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)10-4-6-11(7-5-10)20-14-21-12-2-1-3-13(23(12)22-14)24-9-8-19/h1-7H,8-9,19H2,(H,20,22)
InChIKeyAZQSAUUAFWUWJV-UHFFFAOYSA-N
XLogP2.83
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67293414) is 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is NCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.
What is the InChIKey of 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AZQSAUUAFWUWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c16-15(17,18)10-4-6-11(7-5-10)20-14-21-12-2-1-3-13(23(12)22-14)24-9-8-19/h1-7H,8-9,19H2,(H,20,22).
What are the key properties of 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 337.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67293414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).