2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione

C14H15N3O3 — CID 25199117

IUPAC2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione
SMILESC=C(C)COCn1nc(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O3/c1-10(2)8-20-9-17-14(19)15-13(18)12(16-17)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,15,18,19)
InChIKeyRXPIZLDCEKZTCK-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.15
Rot. Bonds5

About 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione

2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 25199117) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione
PubChem CID25199117
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione
SMILESC=C(C)COCn1nc(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O3/c1-10(2)8-20-9-17-14(19)15-13(18)12(16-17)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,15,18,19)
InChIKeyRXPIZLDCEKZTCK-UHFFFAOYSA-N
XLogP1.15
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.15
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 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione (CID 25199117) is 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione is C=C(C)COCn1nc(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is RXPIZLDCEKZTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(2)8-20-9-17-14(19)15-13(18)12(16-17)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,15,18,19).
What are the key properties of 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione?
2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 273.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxymethyl)-6-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 25199117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).