(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate

C9H9N3O3 — CID 175149649

IUPAC(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate
SMILESC=CCOc1ncnc(OC(=O)C=C)n1
InChIInChI=1S/C9H9N3O3/c1-3-5-14-8-10-6-11-9(12-8)15-7(13)4-2/h3-4,6H,1-2,5H2
InChIKeyIMGJYBHBBXRPFT-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.53
Rot. Bonds5

About (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate

(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate (PubChem CID 175149649) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate
PubChem CID175149649
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate
SMILESC=CCOc1ncnc(OC(=O)C=C)n1
InChIInChI=1S/C9H9N3O3/c1-3-5-14-8-10-6-11-9(12-8)15-7(13)4-2/h3-4,6H,1-2,5H2
InChIKeyIMGJYBHBBXRPFT-UHFFFAOYSA-N
XLogP0.53
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate?
The IUPAC name of (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate (CID 175149649) is (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate.
What is the SMILES notation for (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate?
The canonical SMILES for (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate is C=CCOc1ncnc(OC(=O)C=C)n1.
What is the InChIKey of (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate?
The InChIKey is IMGJYBHBBXRPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-3-5-14-8-10-6-11-9(12-8)15-7(13)4-2/h3-4,6H,1-2,5H2.
What are the key properties of (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate?
(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate has a molecular weight of 207.19 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate is sourced from PubChem (CID 175149649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).