3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

C15H10FN7O — CID 7185229

IUPAC3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3ccncc3)no2)nnn1-c1cccc(F)c1
InChIInChI=1S/C15H10FN7O/c16-10-2-1-3-11(8-10)23-13(17)12(20-22-23)15-19-14(21-24-15)9-4-6-18-7-5-9/h1-8H,17H2
InChIKeyLTUBNEXFLUNMRT-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.10
Rot. Bonds3

About 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 7185229) has the molecular formula C15H10FN7O and a molecular weight of 323.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID7185229
Molecular FormulaC15H10FN7O
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC Name3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3ccncc3)no2)nnn1-c1cccc(F)c1
InChIInChI=1S/C15H10FN7O/c16-10-2-1-3-11(8-10)23-13(17)12(20-22-23)15-19-14(21-24-15)9-4-6-18-7-5-9/h1-8H,17H2
InChIKeyLTUBNEXFLUNMRT-UHFFFAOYSA-N
XLogP2.10
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 7185229) is 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is Nc1c(-c2nc(-c3ccncc3)no2)nnn1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is LTUBNEXFLUNMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN7O/c16-10-2-1-3-11(8-10)23-13(17)12(20-22-23)15-19-14(21-24-15)9-4-6-18-7-5-9/h1-8H,17H2.
What are the key properties of 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 323.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 7185229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).