6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one

C15H20N4O4 — CID 135652092

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one
SMILESCOCCNc1nnc(Cc2ccc(OC)c(OC)c2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O4/c1-21-7-6-16-15-17-14(20)11(18-19-15)8-10-4-5-12(22-2)13(9-10)23-3/h4-5,9H,6-8H2,1-3H3,(H2,16,17,19,20)
InChIKeyMMFMXRCBKAJURR-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.83
Rot. Bonds8

About 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one

6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135652092) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135652092
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one
SMILESCOCCNc1nnc(Cc2ccc(OC)c(OC)c2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O4/c1-21-7-6-16-15-17-14(20)11(18-19-15)8-10-4-5-12(22-2)13(9-10)23-3/h4-5,9H,6-8H2,1-3H3,(H2,16,17,19,20)
InChIKeyMMFMXRCBKAJURR-UHFFFAOYSA-N
XLogP0.83
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2E)-2-butylidenehydrazinyl]-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5(2H)-one
CID 135400233
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135484238
6-(3,4-dimethoxybenzyl)-3-[(2E)-2-heptylidenehydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135526886
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-Dimethoxyphenyl)methyl)-3-hydrazinyl-1,2,4-triazin-5(2H)-one
CID 135452637
3-((2-hydroxyethyl)amino)-6-(4-methoxybenzyl)-1,2,4-triazin-5(4H)-one
CID 135561200
6-(3,4-Dimethoxybenzyl)-3-[(2-hydroxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652279
6-(3,4-dimethoxybenzyl)-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135435896
3-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-6-methyl-4H-[1,2,4]triazin-5-one
CID 135449672
N-((2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)-4-(3,4-dimethoxyphenyl)butanamide (5)
CID 137210054
3-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-4H-[1,2,4]triazin-5-one
CID 135469036

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one (CID 135652092) is 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one is COCCNc1nnc(Cc2ccc(OC)c(OC)c2)c(=O)[nH]1.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is MMFMXRCBKAJURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-21-7-6-16-15-17-14(20)11(18-19-15)8-10-4-5-12(22-2)13(9-10)23-3/h4-5,9H,6-8H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one?
6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 320.35 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135652092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).