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

C10H10F2N4 — CID 130302363

IUPAC[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine
SMILESNCc1cn(-c2cccc(C(F)F)c2)nn1
InChIInChI=1S/C10H10F2N4/c11-10(12)7-2-1-3-9(4-7)16-6-8(5-13)14-15-16/h1-4,6,10H,5,13H2
InChIKeyWCFQLZNQYMABLR-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.66
Rot. Bonds3

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

[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine (PubChem CID 130302363) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine
PubChem CID130302363
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine
SMILESNCc1cn(-c2cccc(C(F)F)c2)nn1
InChIInChI=1S/C10H10F2N4/c11-10(12)7-2-1-3-9(4-7)16-6-8(5-13)14-15-16/h1-4,6,10H,5,13H2
InChIKeyWCFQLZNQYMABLR-UHFFFAOYSA-N
XLogP1.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine (CID 130302363) is [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine is NCc1cn(-c2cccc(C(F)F)c2)nn1.
What is the InChIKey of [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine?
The InChIKey is WCFQLZNQYMABLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c11-10(12)7-2-1-3-9(4-7)16-6-8(5-13)14-15-16/h1-4,6,10H,5,13H2.
What are the key properties of [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine?
[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine has a molecular weight of 224.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine is sourced from PubChem (CID 130302363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).