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

C15H16F3N5O — CID 158969973

IUPAC5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen
SMILESNCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.[H][H]
InChIInChI=1S/C15H14F3N5O.H2/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);1H
InChIKeyJNRJSOOTESLTQU-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.08
Rot. Bonds5

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

5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen (PubChem CID 158969973) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen
PubChem CID158969973
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen
SMILESNCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.[H][H]
InChIInChI=1S/C15H14F3N5O.H2/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);1H
InChIKeyJNRJSOOTESLTQU-UHFFFAOYSA-N
XLogP3.08
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.08
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;molecular hydrogen?
The IUPAC name of 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen (CID 158969973) is 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen.
What is the SMILES notation for 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen?
The canonical SMILES for 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen is NCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.[H][H].
What is the InChIKey of 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen?
The InChIKey is JNRJSOOTESLTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O.H2/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);1H.
What are the key properties of 5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen?
5-(2-aminoethoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;molecular hydrogen has a molecular weight of 339.32 g/mol, XLogP of 3.08, 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;molecular hydrogen is sourced from PubChem (CID 158969973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).