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

C12H14N4O — CID 7213917

IUPAC5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1ccc(Nc2nc(=O)[nH]nc2C)c(C)c1
InChIInChI=1S/C12H14N4O/c1-7-4-5-10(8(2)6-7)13-11-9(3)15-16-12(17)14-11/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyAJZGPEGJRAOHRZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds2

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

5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 7213917) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID7213917
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1ccc(Nc2nc(=O)[nH]nc2C)c(C)c1
InChIInChI=1S/C12H14N4O/c1-7-4-5-10(8(2)6-7)13-11-9(3)15-16-12(17)14-11/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyAJZGPEGJRAOHRZ-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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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one (CID 7213917) is 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one is Cc1ccc(Nc2nc(=O)[nH]nc2C)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is AJZGPEGJRAOHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-5-10(8(2)6-7)13-11-9(3)15-16-12(17)14-11/h4-6H,1-3H3,(H2,13,14,16,17).
What are the key properties of 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-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 5-(2,4-dimethylanilino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 7213917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).