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

C11H12N4O — CID 135412453

IUPAC6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C11H12N4O/c1-7-3-5-9(6-4-7)12-11-13-10(16)8(2)14-15-11/h3-6H,1-2H3,(H2,12,13,15,16)
InChIKeyZGENHKZLHBKAGX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.53
Rot. Bonds2

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

6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one (PubChem CID 135412453) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one
PubChem CID135412453
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C11H12N4O/c1-7-3-5-9(6-4-7)12-11-13-10(16)8(2)14-15-11/h3-6H,1-2H3,(H2,12,13,15,16)
InChIKeyZGENHKZLHBKAGX-UHFFFAOYSA-N
XLogP1.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one (CID 135412453) is 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one is Cc1ccc(Nc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is ZGENHKZLHBKAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-3-5-9(6-4-7)12-11-13-10(16)8(2)14-15-11/h3-6H,1-2H3,(H2,12,13,15,16).
What are the key properties of 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one?
6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 216.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).