[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate

C12H13N3O4 — CID 146546674

IUPAC[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate
SMILESC=CCOc1nc(OCC=C)nc(OC(=O)C=C)n1
InChIInChI=1S/C12H13N3O4/c1-4-7-17-10-13-11(18-8-5-2)15-12(14-10)19-9(16)6-3/h4-6H,1-3,7-8H2
InChIKeyXKRJFSCKVMCLCS-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.09
Rot. Bonds8

About [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate

[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate (PubChem CID 146546674) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate
PubChem CID146546674
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate
SMILESC=CCOc1nc(OCC=C)nc(OC(=O)C=C)n1
InChIInChI=1S/C12H13N3O4/c1-4-7-17-10-13-11(18-8-5-2)15-12(14-10)19-9(16)6-3/h4-6H,1-3,7-8H2
InChIKeyXKRJFSCKVMCLCS-UHFFFAOYSA-N
XLogP1.09
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate?
The IUPAC name of [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate (CID 146546674) is [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate.
What is the SMILES notation for [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate?
The canonical SMILES for [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate is C=CCOc1nc(OCC=C)nc(OC(=O)C=C)n1.
What is the InChIKey of [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate?
The InChIKey is XKRJFSCKVMCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-4-7-17-10-13-11(18-8-5-2)15-12(14-10)19-9(16)6-3/h4-6H,1-3,7-8H2.
What are the key properties of [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate?
[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate has a molecular weight of 263.25 g/mol, XLogP of 1.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] prop-2-enoate is sourced from PubChem (CID 146546674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).