2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine

C11H12F2N4O — CID 116641561

IUPAC2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(-c2ccccc2OC(F)F)nn1
InChIInChI=1S/C11H12F2N4O/c12-11(13)18-10-4-2-1-3-9(10)17-7-8(5-6-14)15-16-17/h1-4,7,11H,5-6,14H2
InChIKeyYCMXSGYPWWPOIS-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.37
Rot. Bonds5

About 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine

2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine (PubChem CID 116641561) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine
PubChem CID116641561
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(-c2ccccc2OC(F)F)nn1
InChIInChI=1S/C11H12F2N4O/c12-11(13)18-10-4-2-1-3-9(10)17-7-8(5-6-14)15-16-17/h1-4,7,11H,5-6,14H2
InChIKeyYCMXSGYPWWPOIS-UHFFFAOYSA-N
XLogP1.37
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
CID 62402019
2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine
CID 116642290
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
CID 116641542
2-[4-[2-(difluoromethoxy)phenyl]triazol-1-yl]ethanamine
CID 113412298
1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine
CID 79507425
2-[1-(3,4,5-trifluorophenyl)triazol-4-yl]ethanamine
CID 116641604
2-[4-(fluoromethyl)triazol-1-yl]aniline
CID 119053805
1-[4-(aminomethyl)triazol-1-yl]anthracene-9,10-dione
CID 82199246
3-[1-(2-propoxyphenyl)triazol-4-yl]propanoic acid
CID 82369460
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
3-[1-(2-methoxyphenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167556

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine (CID 116641561) is 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine is NCCc1cn(-c2ccccc2OC(F)F)nn1.
What is the InChIKey of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine?
The InChIKey is YCMXSGYPWWPOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c12-11(13)18-10-4-2-1-3-9(10)17-7-8(5-6-14)15-16-17/h1-4,7,11H,5-6,14H2.
What are the key properties of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine?
2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine has a molecular weight of 254.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116641561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).