2-(3,5-difluorophenyl)triazol-4-amine

C8H6F2N4 — CID 82399873

IUPAC2-(3,5-difluorophenyl)triazol-4-amine
SMILESNc1cnn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C8H6F2N4/c9-5-1-6(10)3-7(2-5)14-12-4-8(11)13-14/h1-4H,(H2,11,13)
InChIKeyWKTXADSRWRPFSX-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.13
Rot. Bonds1

About 2-(3,5-difluorophenyl)triazol-4-amine

2-(3,5-difluorophenyl)triazol-4-amine (PubChem CID 82399873) has the molecular formula C8H6F2N4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)triazol-4-amine
PubChem CID82399873
Molecular FormulaC8H6F2N4
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC Name2-(3,5-difluorophenyl)triazol-4-amine
SMILESNc1cnn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C8H6F2N4/c9-5-1-6(10)3-7(2-5)14-12-4-8(11)13-14/h1-4H,(H2,11,13)
InChIKeyWKTXADSRWRPFSX-UHFFFAOYSA-N
XLogP1.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-5-fluorophenyl)triazol-4-amine
CID 107371267
2-(2-bromo-4,6-difluorophenyl)triazol-4-amine
CID 116799260
2-(4-tert-butylphenyl)triazol-4-amine
CID 116799226
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802
2-[3-(methoxymethyl)phenyl]triazol-4-amine
CID 116799278
2-(2,2-difluoroethyl)triazol-4-amine
CID 146075351
2-(2,4-dimethylphenyl)triazol-4-amine
CID 116799236
1-(3-fluoro-5-methylphenyl)-5-methylpyrazol-3-amine
CID 102942937
2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine
CID 90233804
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)triazol-4-amine?
The IUPAC name of 2-(3,5-difluorophenyl)triazol-4-amine (CID 82399873) is 2-(3,5-difluorophenyl)triazol-4-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)triazol-4-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)triazol-4-amine is Nc1cnn(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-(3,5-difluorophenyl)triazol-4-amine?
The InChIKey is WKTXADSRWRPFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4/c9-5-1-6(10)3-7(2-5)14-12-4-8(11)13-14/h1-4H,(H2,11,13).
What are the key properties of 2-(3,5-difluorophenyl)triazol-4-amine?
2-(3,5-difluorophenyl)triazol-4-amine has a molecular weight of 196.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)triazol-4-amine is sourced from PubChem (CID 82399873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).