2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide

C15H18N6O6 — CID 135412061

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)Nc2n[nH]c(=O)[nH]c2=O)cc(OC)c1O
InChIInChI=1S/C15H18N6O6/c1-7(17-12-14(24)18-15(25)21-19-12)13(23)20-16-6-8-4-9(26-2)11(22)10(5-8)27-3/h4-7,22H,1-3H3,(H,17,19)(H,20,23)(H2,18,21,24,25)/b16-6+
InChIKeyIJUWYBUMQFANKO-OMCISZLKSA-N
MW378.35 g/mol
LogP-0.87
Rot. Bonds7

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide (PubChem CID 135412061) has the molecular formula C15H18N6O6 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide
PubChem CID135412061
Molecular FormulaC15H18N6O6
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)Nc2n[nH]c(=O)[nH]c2=O)cc(OC)c1O
InChIInChI=1S/C15H18N6O6/c1-7(17-12-14(24)18-15(25)21-19-12)13(23)20-16-6-8-4-9(26-2)11(22)10(5-8)27-3/h4-7,22H,1-3H3,(H,17,19)(H,20,23)(H2,18,21,24,25)/b16-6+
InChIKeyIJUWYBUMQFANKO-OMCISZLKSA-N
XLogP-0.87
TPSA170.79 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 5-0.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide 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-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)sulfanyl]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
CID 135412058
4-Hydroxy-3,5-dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470802
(E)-N'-(2,4-dimethoxybenzylidene)-3-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)propanehydrazide
CID 5347039
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 6863895
1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea
CID 135675925
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]acetohydrazide
CID 135412039
2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)amino]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide (non-preferred name)
CID 135412059
5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135520060
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 155566054
N'-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-methyl-1-piperazinyl)propanohydrazide
CID 135478400
6-Methyl-3-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazin-1-YL]-1,2,4-triazin-5-OL
CID 135616533
2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
CID 135412041

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide (CID 135412061) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide is COc1cc(/C=N/NC(=O)C(C)Nc2n[nH]c(=O)[nH]c2=O)cc(OC)c1O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide?
The InChIKey is IJUWYBUMQFANKO-OMCISZLKSA-N. The full InChI is InChI=1S/C15H18N6O6/c1-7(17-12-14(24)18-15(25)21-19-12)13(23)20-16-6-8-4-9(26-2)11(22)10(5-8)27-3/h4-7,22H,1-3H3,(H,17,19)(H,20,23)(H2,18,21,24,25)/b16-6+.
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide has a molecular weight of 378.35 g/mol, XLogP of -0.87, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135412061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).