[5-fluoro-2-(triazol-1-yl)phenyl]methanamine

C9H9FN4 — CID 70127008

IUPAC[5-fluoro-2-(triazol-1-yl)phenyl]methanamine
SMILESNCc1cc(F)ccc1-n1ccnn1
InChIInChI=1S/C9H9FN4/c10-8-1-2-9(7(5-8)6-11)14-4-3-12-13-14/h1-5H,6,11H2
InChIKeyVHIUIUBESQIUHH-UHFFFAOYSA-N
MW192.20 g/mol
LogP0.87
Rot. Bonds2

About [5-fluoro-2-(triazol-1-yl)phenyl]methanamine

[5-fluoro-2-(triazol-1-yl)phenyl]methanamine (PubChem CID 70127008) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is [5-fluoro-2-(triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(triazol-1-yl)phenyl]methanamine
PubChem CID70127008
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name[5-fluoro-2-(triazol-1-yl)phenyl]methanamine
SMILESNCc1cc(F)ccc1-n1ccnn1
InChIInChI=1S/C9H9FN4/c10-8-1-2-9(7(5-8)6-11)14-4-3-12-13-14/h1-5H,6,11H2
InChIKeyVHIUIUBESQIUHH-UHFFFAOYSA-N
XLogP0.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(triazol-1-yl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(triazol-1-yl)phenyl]methanamine (CID 70127008) is [5-fluoro-2-(triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(triazol-1-yl)phenyl]methanamine is NCc1cc(F)ccc1-n1ccnn1.
What is the InChIKey of [5-fluoro-2-(triazol-1-yl)phenyl]methanamine?
The InChIKey is VHIUIUBESQIUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-8-1-2-9(7(5-8)6-11)14-4-3-12-13-14/h1-5H,6,11H2.
What are the key properties of [5-fluoro-2-(triazol-1-yl)phenyl]methanamine?
[5-fluoro-2-(triazol-1-yl)phenyl]methanamine has a molecular weight of 192.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 70127008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).