2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione

C11H11N3O4 — CID 12569276

IUPAC2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione
SMILESCOc1ccc(-n2ncc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C11H11N3O4/c1-17-8-4-3-7(5-9(8)18-2)14-11(16)13-10(15)6-12-14/h3-6H,1-2H3,(H,13,15,16)
InChIKeyGJRXVXFAVDYBMP-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.06
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione

2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione (PubChem CID 12569276) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione
PubChem CID12569276
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione
SMILESCOc1ccc(-n2ncc(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C11H11N3O4/c1-17-8-4-3-7(5-9(8)18-2)14-11(16)13-10(15)6-12-14/h3-6H,1-2H3,(H,13,15,16)
InChIKeyGJRXVXFAVDYBMP-UHFFFAOYSA-N
XLogP-0.06
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-amino-4-methoxyphenoxy)-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
CID 22339553
2-methoxybenzene-5-ide-1-carbaldehyde;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)
CID 20822967
2-[4-(difluoromethoxy)phenyl]-1,2,4-triazine-3,5-dione
CID 134119934
2-(3,4,5-trichlorophenyl)-1,2,4-triazine-3,5-dione
CID 12569259
3-(3,5-dioxo-1,2,4-triazin-2-yl)benzonitrile
CID 12569263
1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)
CID 20822955
2-[4-[3-(4-fluorobenzoyl)-4-methoxyphenoxy]-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
CID 22339706
2-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 83690319
4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
CID 22424261
2-(3,4-dimethoxyphenyl)triazole
CID 123229175
ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 82365413
4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
CID 138559912

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione (CID 12569276) is 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione is COc1ccc(-n2ncc(=O)[nH]c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is GJRXVXFAVDYBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-8-4-3-7(5-9(8)18-2)14-11(16)13-10(15)6-12-14/h3-6H,1-2H3,(H,13,15,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione?
2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 249.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12569276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).