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

C19H20N4O3 — CID 135561081

IUPAC3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H20N4O3/c1-12-4-6-13(7-5-12)10-15-18(24)21-19(23-22-15)20-14-8-9-16(25-2)17(11-14)26-3/h4-9,11H,10H2,1-3H3,(H2,20,21,23,24)
InChIKeyIWOMDOQKPBJXNP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.82
Rot. Bonds6

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

3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one (PubChem CID 135561081) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one
PubChem CID135561081
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H20N4O3/c1-12-4-6-13(7-5-12)10-15-18(24)21-19(23-22-15)20-14-8-9-16(25-2)17(11-14)26-3/h4-9,11H,10H2,1-3H3,(H2,20,21,23,24)
InChIKeyIWOMDOQKPBJXNP-UHFFFAOYSA-N
XLogP2.82
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethylanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561027
N-[4-[[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 135561138
3-(2,5-dimethoxyanilino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561089
6-[(4-methylphenyl)methyl]-3-(4-nitroanilino)-4H-1,2,4-triazin-5-one
CID 135561155
3-(3-hydroxyanilino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136779562
6-benzyl-3-(5-chloro-2-methoxyanilino)-4H-1,2,4-triazin-5-one
CID 135561041
3-(4-chloro-2,5-dimethoxyanilino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136778560
3-(4-anilinoanilino)-6-benzyl-4H-1,2,4-triazin-5-one
CID 135594235
6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
CID 135618720
N-[4-[(E)-[[6-[(3,4-dimethoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenyl]acetamide
CID 135641152
6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135517100
ethyl 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]amino]benzoate
CID 135561070

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one (CID 135561081) is 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one is COc1ccc(Nc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one?
The InChIKey is IWOMDOQKPBJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-4-6-13(7-5-12)10-15-18(24)21-19(23-22-15)20-14-8-9-16(25-2)17(11-14)26-3/h4-9,11H,10H2,1-3H3,(H2,20,21,23,24).
What are the key properties of 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one?
3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one has a molecular weight of 352.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).