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

C7H10N4O3 — CID 23272640

IUPAC2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione
SMILESCC(=O)n1nc(N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-4(12)11-7(14)8-6(13)5(9-11)10(2)3/h1-3H3,(H,8,13,14)
InChIKeyLMBFVHKCDXPSNB-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.34
Rot. Bonds1

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

2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione (PubChem CID 23272640) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione
PubChem CID23272640
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione
SMILESCC(=O)n1nc(N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-4(12)11-7(14)8-6(13)5(9-11)10(2)3/h1-3H3,(H,8,13,14)
InChIKeyLMBFVHKCDXPSNB-UHFFFAOYSA-N
XLogP-1.34
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione (CID 23272640) is 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione is CC(=O)n1nc(N(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is LMBFVHKCDXPSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-4(12)11-7(14)8-6(13)5(9-11)10(2)3/h1-3H3,(H,8,13,14).
What are the key properties of 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione?
2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 198.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-(dimethylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23272640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).