5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C10H10BrFN4 — CID 112596472

IUPAC5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(F)cc2Br)n1C
InChIInChI=1S/C10H10BrFN4/c1-13-10-15-14-9(16(10)2)7-4-3-6(12)5-8(7)11/h3-5H,1-2H3,(H,13,15)
InChIKeyDSLZHYHGEMBPDO-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.43
Rot. Bonds2

About 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596472) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596472
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(F)cc2Br)n1C
InChIInChI=1S/C10H10BrFN4/c1-13-10-15-14-9(16(10)2)7-4-3-6(12)5-8(7)11/h3-5H,1-2H3,(H,13,15)
InChIKeyDSLZHYHGEMBPDO-UHFFFAOYSA-N
XLogP2.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
CID 112596568
5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 106851433
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
2-(2-bromo-4-fluorophenyl)-1-methylimidazole
CID 141359044
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
5-(2-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 113366385
N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
CID 112596529
N-(2-bromo-6-fluoro-4-methylphenyl)-4-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
CID 118467866
3-(2-bromo-4-fluorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 81442225
5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 107811849

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596472) is 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2ccc(F)cc2Br)n1C.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is DSLZHYHGEMBPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c1-13-10-15-14-9(16(10)2)7-4-3-6(12)5-8(7)11/h3-5H,1-2H3,(H,13,15).
What are the key properties of 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 285.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).