1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine

C10H9BrCl2N4 — CID 66205262

IUPAC1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2c(Cl)cc(Br)cc2Cl)nn1
InChIInChI=1S/C10H9BrCl2N4/c1-14-4-7-5-17(16-15-7)10-8(12)2-6(11)3-9(10)13/h2-3,5,14H,4H2,1H3
InChIKeyIWAHXDMUBQEVST-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.06
Rot. Bonds3

About 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine

1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 66205262) has the molecular formula C10H9BrCl2N4 and a molecular weight of 336.02 g/mol. Its IUPAC name is 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID66205262
Molecular FormulaC10H9BrCl2N4
Molecular Weight336.02 g/mol
Exact Mass333.94
IUPAC Name1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2c(Cl)cc(Br)cc2Cl)nn1
InChIInChI=1S/C10H9BrCl2N4/c1-14-4-7-5-17(16-15-7)10-8(12)2-6(11)3-9(10)13/h2-3,5,14H,4H2,1H3
InChIKeyIWAHXDMUBQEVST-UHFFFAOYSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2,6-dichlorophenyl)-4-(chloromethyl)triazole
CID 62399680
[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]methanol
CID 62401832
1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 107531115
1-[1-(2,5-dibromophenyl)triazol-4-yl]-N-methylmethanamine
CID 66204877
4-(chloromethyl)-1-(2,4,6-tribromophenyl)triazole
CID 63489581
N-[[1-(2,4,6-tribromophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66207291
N-[[1-(2-bromo-6-chloro-4-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107617556
1-[1-(3-bromo-4-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66207331
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206890
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66206892
2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
CID 62401649
N-(4-bromo-2-chlorophenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66193871

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine (CID 66205262) is 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2c(Cl)cc(Br)cc2Cl)nn1.
What is the InChIKey of 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is IWAHXDMUBQEVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N4/c1-14-4-7-5-17(16-15-7)10-8(12)2-6(11)3-9(10)13/h2-3,5,14H,4H2,1H3.
What are the key properties of 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine?
1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 336.02 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66205262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).