N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C15H14F3N5O — CID 57391610

IUPACN-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCCCNc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C15H14F3N5O/c1-2-8-19-13-7-6-12-14(20-13)23(22-21-12)10-4-3-5-11(9-10)24-15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyAGESYMPLKFHRBU-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.54
Rot. Bonds5

About N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57391610) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57391610
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC NameN-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCCCNc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C15H14F3N5O/c1-2-8-19-13-7-6-12-14(20-13)23(22-21-12)10-4-3-5-11(9-10)24-15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyAGESYMPLKFHRBU-UHFFFAOYSA-N
XLogP3.54
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 57391610) is N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is CCCNc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is AGESYMPLKFHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-2-8-19-13-7-6-12-14(20-13)23(22-21-12)10-4-3-5-11(9-10)24-15(16,17)18/h3-7,9H,2,8H2,1H3,(H,19,20).
What are the key properties of N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 337.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57391610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).