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

C13H15N5O3 — CID 135439736

IUPAC5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1O
InChIInChI=1S/C13H15N5O3/c1-3-21-11-6-9(4-5-10(11)19)7-14-17-12-8(2)16-18-13(20)15-12/h4-7,19H,3H2,1-2H3,(H2,15,17,18,20)/b14-7+
InChIKeyOCCHXRIECTYXSN-VGOFMYFVSA-N
MW289.30 g/mol
LogP1.02
Rot. Bonds5

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

5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 135439736) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID135439736
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1O
InChIInChI=1S/C13H15N5O3/c1-3-21-11-6-9(4-5-10(11)19)7-14-17-12-8(2)16-18-13(20)15-12/h4-7,19H,3H2,1-2H3,(H2,15,17,18,20)/b14-7+
InChIKeyOCCHXRIECTYXSN-VGOFMYFVSA-N
XLogP1.02
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-4-[(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazonomethyl]-phenol
CID 135576363
3,4-Dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 9582673
5-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol
CID 135412161
4-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
CID 135614898
Ethyl 2-(3-hydroxy-4-methoxybenzylidene)hydrazine-1-carboxylate
CID 6861615
4-Ethoxy-3-methoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 9667190
4-Hydroxy-3,5-dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 135412207
3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(3-ethoxy-4-hydroxyphenyl)methylene]propanohydrazide
CID 135439786
3-Ethoxy-4-hydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470891
N'~1~,N'~2~-bis(3-ethoxy-4-hydroxybenzylidene)ethanedihydrazide
CID 135459016
N'',N'''-bis(3-ethoxy-4-hydroxybenzylidene)carbonohydrazide
CID 135531616
4-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
CID 135650667

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (CID 135439736) is 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is CCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1O.
What is the InChIKey of 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is OCCHXRIECTYXSN-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-21-11-6-9(4-5-10(11)19)7-14-17-12-8(2)16-18-13(20)15-12/h4-7,19H,3H2,1-2H3,(H2,15,17,18,20)/b14-7+.
What are the key properties of 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 289.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 135439736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).