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

C14H11F3N4O — CID 11185905

IUPAC8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)n2nc(N)nc12
InChIInChI=1S/C14H11F3N4O/c1-22-11-7-6-10(21-12(11)19-13(18)20-21)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3,(H2,18,20)
InChIKeyRFLQNVSAOTYYJG-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.01
Rot. Bonds2

About 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 11185905) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID11185905
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)n2nc(N)nc12
InChIInChI=1S/C14H11F3N4O/c1-22-11-7-6-10(21-12(11)19-13(18)20-21)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3,(H2,18,20)
InChIKeyRFLQNVSAOTYYJG-UHFFFAOYSA-N
XLogP3.01
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 11185905) is 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2ccc(C(F)(F)F)cc2)n2nc(N)nc12.
What is the InChIKey of 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is RFLQNVSAOTYYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-22-11-7-6-10(21-12(11)19-13(18)20-21)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3,(H2,18,20).
What are the key properties of 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 308.26 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 11185905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).