2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione

C6H10N4O2 — CID 43410469

IUPAC2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione
SMILESCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C6H10N4O2/c1-7-4-5(11)9(2)6(12)10(3)8-4/h1-3H3,(H,7,8)
InChIKeyQLYPQVFOXSJKMU-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.48
Rot. Bonds1

About 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione (PubChem CID 43410469) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione
PubChem CID43410469
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione
SMILESCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C6H10N4O2/c1-7-4-5(11)9(2)6(12)10(3)8-4/h1-3H3,(H,7,8)
InChIKeyQLYPQVFOXSJKMU-UHFFFAOYSA-N
XLogP-1.48
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione (CID 43410469) is 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione is CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is QLYPQVFOXSJKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-7-4-5(11)9(2)6(12)10(3)8-4/h1-3H3,(H,7,8).
What are the key properties of 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(methylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).