5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine

C16H15FN4O — CID 170147989

IUPAC5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccc(OCCc2ccccc2F)c1
InChIInChI=1S/C16H15FN4O/c17-14-7-2-1-4-11(14)8-9-22-13-6-3-5-12(10-13)15-16(18)20-21-19-15/h1-7,10H,8-9H2,(H3,18,19,20,21)
InChIKeyZRYPFVXXOWUDFP-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.81
Rot. Bonds5

About 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine

5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine (PubChem CID 170147989) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine
PubChem CID170147989
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccc(OCCc2ccccc2F)c1
InChIInChI=1S/C16H15FN4O/c17-14-7-2-1-4-11(14)8-9-22-13-6-3-5-12(10-13)15-16(18)20-21-19-15/h1-7,10H,8-9H2,(H3,18,19,20,21)
InChIKeyZRYPFVXXOWUDFP-UHFFFAOYSA-N
XLogP2.81
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine?
The IUPAC name of 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine (CID 170147989) is 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine?
The canonical SMILES for 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine is Nc1n[nH]nc1-c1cccc(OCCc2ccccc2F)c1.
What is the InChIKey of 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine?
The InChIKey is ZRYPFVXXOWUDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-14-7-2-1-4-11(14)8-9-22-13-6-3-5-12(10-13)15-16(18)20-21-19-15/h1-7,10H,8-9H2,(H3,18,19,20,21).
What are the key properties of 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine?
5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine has a molecular weight of 298.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 170147989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).