1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one

C13H17N5O3 — CID 54291907

IUPAC1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
SMILESCNNc1nc(C)n(-c2ccc(OC)c(OC)c2)c(=O)n1
InChIInChI=1S/C13H17N5O3/c1-8-15-12(17-14-2)16-13(19)18(8)9-5-6-10(20-3)11(7-9)21-4/h5-7,14H,1-4H3,(H,16,17,19)
InChIKeyRYCDRLHAYINAAW-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.50
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one

1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 54291907) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID54291907
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
SMILESCNNc1nc(C)n(-c2ccc(OC)c(OC)c2)c(=O)n1
InChIInChI=1S/C13H17N5O3/c1-8-15-12(17-14-2)16-13(19)18(8)9-5-6-10(20-3)11(7-9)21-4/h5-7,14H,1-4H3,(H,16,17,19)
InChIKeyRYCDRLHAYINAAW-UHFFFAOYSA-N
XLogP0.50
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 95478982
N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
CID 54341556
4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
CID 138559912
1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 742639
4-(3,4-dimethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 25196615
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 808669
2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde
CID 174927014
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 16803597
2-(3,4-dimethoxyphenyl)triazole
CID 123229175
diethyl 1-(3,4-dimethoxyphenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71599027
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one (CID 54291907) is 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one is CNNc1nc(C)n(-c2ccc(OC)c(OC)c2)c(=O)n1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is RYCDRLHAYINAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-8-15-12(17-14-2)16-13(19)18(8)9-5-6-10(20-3)11(7-9)21-4/h5-7,14H,1-4H3,(H,16,17,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one?
1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 291.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 54291907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).