6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one

C11H14N4O — CID 138651790

IUPAC6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one
SMILESCC1=NNC(=O)N(Nc2ccccc2C)C1
InChIInChI=1S/C11H14N4O/c1-8-5-3-4-6-10(8)14-15-7-9(2)12-13-11(15)16/h3-6,14H,7H2,1-2H3,(H,13,16)
InChIKeyPKMGRGBVJXZJMU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.72
Rot. Bonds2

About 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one

6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one (PubChem CID 138651790) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one
PubChem CID138651790
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one
SMILESCC1=NNC(=O)N(Nc2ccccc2C)C1
InChIInChI=1S/C11H14N4O/c1-8-5-3-4-6-10(8)14-15-7-9(2)12-13-11(15)16/h3-6,14H,7H2,1-2H3,(H,13,16)
InChIKeyPKMGRGBVJXZJMU-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-1-[(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)amino]-3-(2-phenylethylidene)urea
CID 141494944
4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-2-phenylpyrimidine-5-carboxamide
CID 59200067
1-(3-formyl-6-methyl-3,5-dihydro-2H-1,2,4-triazin-4-yl)-3-(2-methylphenyl)thiourea
CID 174871232
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
CID 138495272
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N,2-dimethylaniline
CID 163768915
(2-methylphenyl)urea;phosphane
CID 175888509
[2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate
CID 71134468
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one (CID 138651790) is 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one is CC1=NNC(=O)N(Nc2ccccc2C)C1.
What is the InChIKey of 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one?
The InChIKey is PKMGRGBVJXZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-3-4-6-10(8)14-15-7-9(2)12-13-11(15)16/h3-6,14H,7H2,1-2H3,(H,13,16).
What are the key properties of 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one?
6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methylanilino)-2,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 138651790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).