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

C9H16N4O3 — CID 43646873

IUPAC6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCOCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O3/c1-4-16-6-5-10-7-8(14)12(2)9(15)13(3)11-7/h4-6H2,1-3H3,(H,10,11)
InChIKeyFSHVHQYSPVYBQG-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.07
Rot. Bonds5

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

6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43646873) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43646873
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCOCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O3/c1-4-16-6-5-10-7-8(14)12(2)9(15)13(3)11-7/h4-6H2,1-3H3,(H,10,11)
InChIKeyFSHVHQYSPVYBQG-UHFFFAOYSA-N
XLogP-1.07
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43646873) is 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCOCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is FSHVHQYSPVYBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-4-16-6-5-10-7-8(14)12(2)9(15)13(3)11-7/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 228.25 g/mol, XLogP of -1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43646873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).