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

C13H15N5O2 — CID 135567689

IUPAC3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCCOc1ccc(/C=N/Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H15N5O2/c1-3-20-11-6-4-10(5-7-11)8-14-17-13-15-12(19)9(2)16-18-13/h4-8H,3H2,1-2H3,(H2,15,17,18,19)/b14-8+
InChIKeyGGXHHXQOQRXCOA-RIYZIHGNSA-N
MW273.30 g/mol
LogP1.32
Rot. Bonds5

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

3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135567689) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135567689
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCCOc1ccc(/C=N/Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H15N5O2/c1-3-20-11-6-4-10(5-7-11)8-14-17-13-15-12(19)9(2)16-18-13/h4-8H,3H2,1-2H3,(H2,15,17,18,19)/b14-8+
InChIKeyGGXHHXQOQRXCOA-RIYZIHGNSA-N
XLogP1.32
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.32
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'}

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Related Compounds

6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6863848
4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
CID 9701618
3-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135488697
(4E)-4-[(2E)-(2-propoxybenzylidene)hydrazinylidene]-3,4-dihydropyrimidin-2(1H)-one
CID 9700012
2-Ethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135509502
{4-[2-(6-Methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)carbohydrazonoyl]phenoxy}acetic acid
CID 135814822
4-Methoxybenzaldehyde (5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135411612
4-[(1E)-2-(4-butoxyphenyl)-1-azavinyl]-5-ethyl-1,2,4-triazole-3-thiol
CID 6863582
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 70693720
2-(N'-(4-Methoxy-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135509497
5-(4-methoxyphenyl)-1,2,4-triazin-3(2H)-one
CID 13983343

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135567689) is 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is CCOc1ccc(/C=N/Nc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is GGXHHXQOQRXCOA-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-20-11-6-4-10(5-7-11)8-14-17-13-15-12(19)9(2)16-18-13/h4-8H,3H2,1-2H3,(H2,15,17,18,19)/b14-8+.
What are the key properties of 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 273.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135567689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).