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

C17H15N5O2 — CID 135479756

IUPAC6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(N/N=C/c2ccccc2O)nnc1Cc1ccccc1
InChIInChI=1S/C17H15N5O2/c23-15-9-5-4-8-13(15)11-18-21-17-19-16(24)14(20-22-17)10-12-6-2-1-3-7-12/h1-9,11,23H,10H2,(H2,19,21,22,24)/b18-11+
InChIKeyVHSWDIKYADFCEV-WOJGMQOQSA-N
MW321.34 g/mol
LogP1.91
Rot. Bonds5

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

6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135479756) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135479756
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(N/N=C/c2ccccc2O)nnc1Cc1ccccc1
InChIInChI=1S/C17H15N5O2/c23-15-9-5-4-8-13(15)11-18-21-17-19-16(24)14(20-22-17)10-12-6-2-1-3-7-12/h1-9,11,23H,10H2,(H2,19,21,22,24)/b18-11+
InChIKeyVHSWDIKYADFCEV-WOJGMQOQSA-N
XLogP1.91
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135517100
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135510947
(E)-4-amino-6-(tert-butyl)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135517165
(E)-6-benzyl-3-(2-(1-(2-hydroxyphenyl)ethylidene)hydrazinyl)-1,2,4-triazin-5(2H)-one
CID 135716497
6-benzyl-3-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135479801
3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135409374
4-amino-6-tert-butyl-3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 136822679
6-benzyl-3-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136912548
3-benzyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one
CID 135509210
(E)-6-(tert-butyl)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135607764
6-benzyl-3-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135558968

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135479756) is 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is O=c1[nH]c(N/N=C/c2ccccc2O)nnc1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is VHSWDIKYADFCEV-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-15-9-5-4-8-13(15)11-18-21-17-19-16(24)14(20-22-17)10-12-6-2-1-3-7-12/h1-9,11,23H,10H2,(H2,19,21,22,24)/b18-11+.
What are the key properties of 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 321.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135479756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).