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

C12H14N4O — CID 135432564

IUPAC3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C12H14N4O/c1-7-4-5-10(6-8(7)2)13-12-14-11(17)9(3)15-16-12/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyVYZYJMSYHXAFRV-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds2

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

3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135432564) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135432564
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C12H14N4O/c1-7-4-5-10(6-8(7)2)13-12-14-11(17)9(3)15-16-12/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyVYZYJMSYHXAFRV-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561027
N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 135713561
3-(4-butylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135413095
6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
CID 135561108
6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one
CID 135454577
3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135412294
3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135515938
3-(2,5-dichloroanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135514995
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
CID 135763969
methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
CID 135760934
3-(3-chloro-4-methylanilino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561047
6-methyl-3-[(2E)-2-[(2,4,6-trimethylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135982649

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one (CID 135432564) is 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one is Cc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1C.
What is the InChIKey of 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is VYZYJMSYHXAFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-5-10(6-8(7)2)13-12-14-11(17)9(3)15-16-12/h4-6H,1-3H3,(H2,13,14,16,17).
What are the key properties of 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135432564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).