1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine

C10H10BrFN4 — CID 107451386

IUPAC1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnnn1-c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN4/c1-13-5-8-6-14-15-16(8)10-3-2-7(11)4-9(10)12/h2-4,6,13H,5H2,1H3
InChIKeyAKQCNMQOZDARKQ-UHFFFAOYSA-N
MW285.12 g/mol
LogP1.89
Rot. Bonds3

About 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine

1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 107451386) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID107451386
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnnn1-c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN4/c1-13-5-8-6-14-15-16(8)10-3-2-7(11)4-9(10)12/h2-4,6,13H,5H2,1H3
InChIKeyAKQCNMQOZDARKQ-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451411
N-[[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451270
N-[[3-(2,4,5-trifluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 107451596
1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 107451888
N-[[3-(4-bromo-5-fluoro-2-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451904
N-[[3-(4-bromo-2-ethylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107451798
[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine
CID 82507073
2-methyl-N-[[3-(2,4,5-trifluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 107451591
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
1-(4-bromo-2-chlorophenyl)-5-(bromomethyl)triazole
CID 130566437
N-[[3-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107628574
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine (CID 107451386) is 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine is CNCc1cnnn1-c1ccc(Br)cc1F.
What is the InChIKey of 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is AKQCNMQOZDARKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c1-13-5-8-6-14-15-16(8)10-3-2-7(11)4-9(10)12/h2-4,6,13H,5H2,1H3.
What are the key properties of 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 285.12 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107451386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).