6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione

C6H10N4O2 — CID 23262896

IUPAC6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)c1n[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H10N4O2/c1-9(2)4-5(11)10(3)6(12)8-7-4/h1-3H3,(H,8,12)
InChIKeyFZYDJSUODFXCLW-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.47
Rot. Bonds1

About 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione

6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 23262896) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione
PubChem CID23262896
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)c1n[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H10N4O2/c1-9(2)4-5(11)10(3)6(12)8-7-4/h1-3H3,(H,8,12)
InChIKeyFZYDJSUODFXCLW-UHFFFAOYSA-N
XLogP-1.47
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione (CID 23262896) is 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione is CN(C)c1n[nH]c(=O)n(C)c1=O.
What is the InChIKey of 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FZYDJSUODFXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-9(2)4-5(11)10(3)6(12)8-7-4/h1-3H3,(H,8,12).
What are the key properties of 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione?
6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-methyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23262896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).