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

C11H18N4O3 — CID 113338954

IUPAC6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESC=CCCOCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-4-5-7-18-8-6-12-9-10(16)14(2)11(17)15(3)13-9/h4H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyZMYNGHXAGNKOSX-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.52
Rot. Bonds7

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

6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 113338954) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID113338954
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESC=CCCOCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-4-5-7-18-8-6-12-9-10(16)14(2)11(17)15(3)13-9/h4H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyZMYNGHXAGNKOSX-UHFFFAOYSA-N
XLogP-0.52
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 113338954) is 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is C=CCCOCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZMYNGHXAGNKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-5-7-18-8-6-12-9-10(16)14(2)11(17)15(3)13-9/h4H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-but-3-enoxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 113338954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).