[1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine

C10H11FN4O — CID 177272370

IUPAC[1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine
SMILESNCc1cn(-c2cccc(OCF)c2)nn1
InChIInChI=1S/C10H11FN4O/c11-7-16-10-3-1-2-9(4-10)15-6-8(5-12)13-14-15/h1-4,6H,5,7,12H2
InChIKeyJCYXJWFDKMWMFI-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.03
Rot. Bonds4

About [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine

[1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine (PubChem CID 177272370) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine
PubChem CID177272370
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name[1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine
SMILESNCc1cn(-c2cccc(OCF)c2)nn1
InChIInChI=1S/C10H11FN4O/c11-7-16-10-3-1-2-9(4-10)15-6-8(5-12)13-14-15/h1-4,6H,5,7,12H2
InChIKeyJCYXJWFDKMWMFI-UHFFFAOYSA-N
XLogP1.03
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine (CID 177272370) is [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine is NCc1cn(-c2cccc(OCF)c2)nn1.
What is the InChIKey of [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine?
The InChIKey is JCYXJWFDKMWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c11-7-16-10-3-1-2-9(4-10)15-6-8(5-12)13-14-15/h1-4,6H,5,7,12H2.
What are the key properties of [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine?
[1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine has a molecular weight of 222.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(fluoromethoxy)phenyl]triazol-4-yl]methanamine is sourced from PubChem (CID 177272370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).