4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol

C23H18N4O2 — CID 139228404

IUPAC4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/c2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C23H18N4O2/c1-29-20-14-16(12-13-19(20)28)15-24-23-25-21(17-8-4-2-5-9-17)22(26-27-23)18-10-6-3-7-11-18/h2-15,28H,1H3/b24-15+
InChIKeyFUQKGUSMWBHLNO-BUVRLJJBSA-N
MW382.42 g/mol
LogP4.67
Rot. Bonds5

About 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol

4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol (PubChem CID 139228404) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol
PubChem CID139228404
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/c2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C23H18N4O2/c1-29-20-14-16(12-13-19(20)28)15-24-23-25-21(17-8-4-2-5-9-17)22(26-27-23)18-10-6-3-7-11-18/h2-15,28H,1H3/b24-15+
InChIKeyFUQKGUSMWBHLNO-BUVRLJJBSA-N
XLogP4.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135715726
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
CID 5221713
4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
CID 139088925
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
CID 135613084
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
2-methoxy-4-[[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 137089393
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 136913822
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol (CID 139228404) is 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol is COc1cc(/C=N/c2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1O.
What is the InChIKey of 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol?
The InChIKey is FUQKGUSMWBHLNO-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-29-20-14-16(12-13-19(20)28)15-24-23-25-21(17-8-4-2-5-9-17)22(26-27-23)18-10-6-3-7-11-18/h2-15,28H,1H3/b24-15+.
What are the key properties of 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol?
4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol has a molecular weight of 382.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 139228404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).