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

C18H17N5O2 — CID 135412071

IUPAC3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCCOc1ccccc1/C=N/Nc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H17N5O2/c1-2-25-15-11-7-6-10-14(15)12-19-22-18-20-17(24)16(21-23-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H2,20,22,23,24)/b19-12+
InChIKeyFJBNIDSLGNQMBE-XDHOZWIPSA-N
MW335.37 g/mol
LogP2.68
Rot. Bonds6

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

3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135412071) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135412071
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCCOc1ccccc1/C=N/Nc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H17N5O2/c1-2-25-15-11-7-6-10-14(15)12-19-22-18-20-17(24)16(21-23-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H2,20,22,23,24)/b19-12+
InChIKeyFJBNIDSLGNQMBE-XDHOZWIPSA-N
XLogP2.68
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-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

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
Phenyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9593809
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
p-Tolyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9590774
6-[(4-Methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-2,5-dihydro-1,2,4-triazin-5-one
CID 135472801
4-Methoxybenzaldehyde (5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135411612
6-Benzyl-3-[(2E)-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-2,5-dihydro-1,2,4-triazin-5-one
CID 135439788
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 70693720
N'-(2-(Benzyloxy)benzylidene)decanohydrazide
CID 9653487

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one (CID 135412071) is 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one is CCOc1ccccc1/C=N/Nc1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is FJBNIDSLGNQMBE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-25-15-11-7-6-10-14(15)12-19-22-18-20-17(24)16(21-23-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H2,20,22,23,24)/b19-12+.
What are the key properties of 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 335.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).