4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol

C23H18BrN5O2 — CID 135538935

IUPAC4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1O
InChIInChI=1S/C23H18BrN5O2/c1-31-19-13-18(24)12-17(22(19)30)14-25-28-23-26-20(15-8-4-2-5-9-15)21(27-29-23)16-10-6-3-7-11-16/h2-14,30H,1H3,(H,26,28,29)
InChIKeySNEDDWDWWOOPRJ-UHFFFAOYSA-N
MW476.33 g/mol
LogP5.13
Rot. Bonds6

About 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol

4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135538935) has the molecular formula C23H18BrN5O2 and a molecular weight of 476.33 g/mol. Its IUPAC name is 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135538935
Molecular FormulaC23H18BrN5O2
Molecular Weight476.33 g/mol
Exact Mass475.06
IUPAC Name4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1O
InChIInChI=1S/C23H18BrN5O2/c1-31-19-13-18(24)12-17(22(19)30)14-25-28-23-26-20(15-8-4-2-5-9-15)21(27-29-23)16-10-6-3-7-11-16/h2-14,30H,1H3,(H,26,28,29)
InChIKeySNEDDWDWWOOPRJ-UHFFFAOYSA-N
XLogP5.13
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.33
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 6789971
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
4-bromo-2-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4244298
4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 2847290
4-bromo-2-methoxy-6-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135619843
2-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 135713651
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dibromophenol
CID 135419784
1-benzyl-3-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135731232
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137166744
3-[(2E)-2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136789034

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol (CID 135538935) is 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cc(Br)cc(C=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1O.
What is the InChIKey of 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is SNEDDWDWWOOPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O2/c1-31-19-13-18(24)12-17(22(19)30)14-25-28-23-26-20(15-8-4-2-5-9-15)21(27-29-23)16-10-6-3-7-11-16/h2-14,30H,1H3,(H,26,28,29).
What are the key properties of 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol?
4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 476.33 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135538935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).