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

C15H9ClFN7O — CID 20904400

IUPAC3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3ccncc3)no2)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H9ClFN7O/c16-10-7-9(1-2-11(10)17)24-13(18)12(21-23-24)15-20-14(22-25-15)8-3-5-19-6-4-8/h1-7H,18H2
InChIKeyDUXQVHSBGPOOOQ-UHFFFAOYSA-N
MW357.74 g/mol
LogP2.75
Rot. Bonds3

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

3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 20904400) has the molecular formula C15H9ClFN7O and a molecular weight of 357.74 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID20904400
Molecular FormulaC15H9ClFN7O
Molecular Weight357.74 g/mol
Exact Mass357.05
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3ccncc3)no2)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H9ClFN7O/c16-10-7-9(1-2-11(10)17)24-13(18)12(21-23-24)15-20-14(22-25-15)8-3-5-19-6-4-8/h1-7H,18H2
InChIKeyDUXQVHSBGPOOOQ-UHFFFAOYSA-N
XLogP2.75
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 20904400) is 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is Nc1c(-c2nc(-c3ccncc3)no2)nnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is DUXQVHSBGPOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN7O/c16-10-7-9(1-2-11(10)17)24-13(18)12(21-23-24)15-20-14(22-25-15)8-3-5-19-6-4-8/h1-7H,18H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 357.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 20904400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).