2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol

C11H10Br2N4O — CID 660786

IUPAC2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
SMILESCc1nnc(C)n1N=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H10Br2N4O/c1-6-15-16-7(2)17(6)14-5-8-3-9(12)4-10(13)11(8)18/h3-5,18H,1-2H3
InChIKeyNZAFVHVKGSZJDY-UHFFFAOYSA-N
MW374.04 g/mol
LogP3.01
Rot. Bonds2

About 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol

2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol (PubChem CID 660786) has the molecular formula C11H10Br2N4O and a molecular weight of 374.04 g/mol. Its IUPAC name is 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
PubChem CID660786
Molecular FormulaC11H10Br2N4O
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
SMILESCc1nnc(C)n1N=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H10Br2N4O/c1-6-15-16-7(2)17(6)14-5-8-3-9(12)4-10(13)11(8)18/h3-5,18H,1-2H3
InChIKeyNZAFVHVKGSZJDY-UHFFFAOYSA-N
XLogP3.01
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol (CID 660786) is 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol is Cc1nnc(C)n1N=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
The InChIKey is NZAFVHVKGSZJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O/c1-6-15-16-7(2)17(6)14-5-8-3-9(12)4-10(13)11(8)18/h3-5,18H,1-2H3.
What are the key properties of 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol has a molecular weight of 374.04 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol is sourced from PubChem (CID 660786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).