3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one

C12H14N4O3 — CID 135412294

IUPAC3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(C)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-7-11(17)14-12(16-15-7)13-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyJQITULKPBZYIKU-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.23
Rot. Bonds4

About 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one

3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135412294) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135412294
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(C)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-7-11(17)14-12(16-15-7)13-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyJQITULKPBZYIKU-UHFFFAOYSA-N
XLogP1.23
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dimethoxyanilino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561089
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135476904
3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135432564
3-(2,5-dichloroanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135514995
methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
CID 135760934
3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733501
3-(2,5-dimethoxyanilino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136778675
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402513
N-(2,5-dimethoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 136687658
2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135442793
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one (CID 135412294) is 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one is COc1ccc(Nc2nnc(C)c(=O)[nH]2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is JQITULKPBZYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-11(17)14-12(16-15-7)13-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H2,13,14,16,17).
What are the key properties of 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one?
3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 262.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).