6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C19H19N5O4 — CID 135521447

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(N/N=C/c3ccc(O)cc3)[nH]c2=O)cc1OC
InChIInChI=1S/C19H19N5O4/c1-27-16-8-5-13(10-17(16)28-2)9-15-18(26)21-19(24-22-15)23-20-11-12-3-6-14(25)7-4-12/h3-8,10-11,25H,9H2,1-2H3,(H2,21,23,24,26)/b20-11+
InChIKeyNHXRORRZKIRUAQ-RGVLZGJSSA-N
MW381.39 g/mol
LogP1.92
Rot. Bonds7

About 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135521447) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135521447
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Cc2nnc(N/N=C/c3ccc(O)cc3)[nH]c2=O)cc1OC
InChIInChI=1S/C19H19N5O4/c1-27-16-8-5-13(10-17(16)28-2)9-15-18(26)21-19(24-22-15)23-20-11-12-3-6-14(25)7-4-12/h3-8,10-11,25H,9H2,1-2H3,(H2,21,23,24,26)/b20-11+
InChIKeyNHXRORRZKIRUAQ-RGVLZGJSSA-N
XLogP1.92
TPSA121.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3-[(2E)-2-butylidenehydrazinyl]-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5(2H)-one
CID 135400233
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135484238
6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
6-benzyl-3-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135526872
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-heptylidenehydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135526886
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135421191
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135421222
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135517100
6-((3,4-Dimethoxyphenyl)methyl)-3-hydrazinyl-1,2,4-triazin-5(2H)-one
CID 135452637
N'-[(1E)-(3,4-dimethoxyphenyl)methylene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanohydrazide
CID 6865289
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]propanohydrazide
CID 135412038

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135521447) is 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is COc1ccc(Cc2nnc(N/N=C/c3ccc(O)cc3)[nH]c2=O)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is NHXRORRZKIRUAQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-27-16-8-5-13(10-17(16)28-2)9-15-18(26)21-19(24-22-15)23-20-11-12-3-6-14(25)7-4-12/h3-8,10-11,25H,9H2,1-2H3,(H2,21,23,24,26)/b20-11+.
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 381.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135521447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).