4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one

C7H9N3O3 — CID 89331249

IUPAC4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one
SMILESC=CCOc1nc(OC)nc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3-4-13-7-9-5(11)8-6(10-7)12-2/h3H,1,4H2,2H3,(H,8,9,10,11)
InChIKeyIOCLXGYNVTXEDF-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.26
Rot. Bonds4

About 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one

4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one (PubChem CID 89331249) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one
PubChem CID89331249
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one
SMILESC=CCOc1nc(OC)nc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3-4-13-7-9-5(11)8-6(10-7)12-2/h3H,1,4H2,2H3,(H,8,9,10,11)
InChIKeyIOCLXGYNVTXEDF-UHFFFAOYSA-N
XLogP-0.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one (CID 89331249) is 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one is C=CCOc1nc(OC)nc(=O)[nH]1.
What is the InChIKey of 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one?
The InChIKey is IOCLXGYNVTXEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3-4-13-7-9-5(11)8-6(10-7)12-2/h3H,1,4H2,2H3,(H,8,9,10,11).
What are the key properties of 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one?
4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one has a molecular weight of 183.17 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-prop-2-enoxy-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 89331249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).