2-(2-bromo-4,6-difluorophenyl)triazol-4-amine

C8H5BrF2N4 — CID 116799260

IUPAC2-(2-bromo-4,6-difluorophenyl)triazol-4-amine
SMILESNc1cnn(-c2c(F)cc(F)cc2Br)n1
InChIInChI=1S/C8H5BrF2N4/c9-5-1-4(10)2-6(11)8(5)15-13-3-7(12)14-15/h1-3H,(H2,12,14)
InChIKeyQVQFOFRANKBEQE-UHFFFAOYSA-N
MW275.06 g/mol
LogP1.89
Rot. Bonds1

About 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine

2-(2-bromo-4,6-difluorophenyl)triazol-4-amine (PubChem CID 116799260) has the molecular formula C8H5BrF2N4 and a molecular weight of 275.06 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluorophenyl)triazol-4-amine
PubChem CID116799260
Molecular FormulaC8H5BrF2N4
Molecular Weight275.06 g/mol
Exact Mass273.97
IUPAC Name2-(2-bromo-4,6-difluorophenyl)triazol-4-amine
SMILESNc1cnn(-c2c(F)cc(F)cc2Br)n1
InChIInChI=1S/C8H5BrF2N4/c9-5-1-4(10)2-6(11)8(5)15-13-3-7(12)14-15/h1-3H,(H2,12,14)
InChIKeyQVQFOFRANKBEQE-UHFFFAOYSA-N
XLogP1.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)triazol-4-amine
CID 82399873
2-(3-chloro-5-fluorophenyl)triazol-4-amine
CID 107371267
4-(2-bromo-4,6-difluorophenyl)morpholine
CID 84714714
3-bromo-5-fluoro-4-pyrrolidin-1-ylaniline
CID 84709742
2-(4-bromo-2-methylphenyl)triazol-4-amine
CID 104509118
3-bromo-5-fluoro-4-piperidin-1-ylaniline
CID 84713585
2-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)triazol-4-amine
CID 116799298
2-amino-3-[[2-(2,4,6-trifluorophenyl)triazol-4-yl]methylideneamino]but-2-enedinitrile
CID 54270376
4-(2-bromo-4,6-difluorophenyl)-3-tert-butyl-5-chloro-1,2,4-triazole
CID 63385281
4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole
CID 63385230
1-(2-bromo-4,6-difluorophenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64963254
1-(2-bromo-4-fluoro-6-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 46928369

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine?
The IUPAC name of 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine (CID 116799260) is 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine.
What is the SMILES notation for 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine?
The canonical SMILES for 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine is Nc1cnn(-c2c(F)cc(F)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine?
The InChIKey is QVQFOFRANKBEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N4/c9-5-1-4(10)2-6(11)8(5)15-13-3-7(12)14-15/h1-3H,(H2,12,14).
What are the key properties of 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine?
2-(2-bromo-4,6-difluorophenyl)triazol-4-amine has a molecular weight of 275.06 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluorophenyl)triazol-4-amine is sourced from PubChem (CID 116799260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).