5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H16F3N5O — CID 59276156

IUPAC5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)11-5-7-12(8-6-11)21-15-22-13-3-1-4-14(24(13)23-15)25-10-2-9-20/h1,3-8H,2,9-10,20H2,(H,21,23)
InChIKeyFOBTTYIQYAXFEY-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.22
Rot. Bonds6

About 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59276156) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59276156
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNCCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)11-5-7-12(8-6-11)21-15-22-13-3-1-4-14(24(13)23-15)25-10-2-9-20/h1,3-8H,2,9-10,20H2,(H,21,23)
InChIKeyFOBTTYIQYAXFEY-UHFFFAOYSA-N
XLogP3.22
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59276156) is 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is NCCCOc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.
What is the InChIKey of 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FOBTTYIQYAXFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O/c17-16(18,19)11-5-7-12(8-6-11)21-15-22-13-3-1-4-14(24(13)23-15)25-10-2-9-20/h1,3-8H,2,9-10,20H2,(H,21,23).
What are the key properties of 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 351.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59276156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).