1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

C12H12Br2N4O — CID 651990

IUPAC1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1c(Br)cc(Br)cc1C=Nn1c(C)nnc1C
InChIInChI=1S/C12H12Br2N4O/c1-7-16-17-8(2)18(7)15-6-9-4-10(13)5-11(14)12(9)19-3/h4-6H,1-3H3
InChIKeyNEAMJYBMOALBNZ-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.31
Rot. Bonds3

About 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 651990) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID651990
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1c(Br)cc(Br)cc1C=Nn1c(C)nnc1C
InChIInChI=1S/C12H12Br2N4O/c1-7-16-17-8(2)18(7)15-6-9-4-10(13)5-11(14)12(9)19-3/h4-6H,1-3H3
InChIKeyNEAMJYBMOALBNZ-UHFFFAOYSA-N
XLogP3.31
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Dibromo-6-(((3,5-dimethyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
CID 135449602
[1-(3,5-Dibromo-2-methoxy-phenyl)-meth-(E)-ylidene]-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine
CID 9568632
4-Bromo-2-{[(3,5-dimethyl-4H-1,2,4-triazol-4-YL)imino]methyl}phenol
CID 135449230
N-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5341189
N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5347812
(E)-1-(5-bromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 5726273
2,4-Dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 660786
1-(5-bromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 760465
4-Bromo-2-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 760474
(Z)-1-(5-Bromo-2-methoxyphenyl)-N-(3,5-dimethyl-4H-1,2,4-triazol-4-YL)methanimine
CID 5342861
N-(2-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5343068
(Z)-1-(5-bromo-2-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5402322

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (CID 651990) is 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is COc1c(Br)cc(Br)cc1C=Nn1c(C)nnc1C.
What is the InChIKey of 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is NEAMJYBMOALBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O/c1-7-16-17-8(2)18(7)15-6-9-4-10(13)5-11(14)12(9)19-3/h4-6H,1-3H3.
What are the key properties of 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 388.06 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 651990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).