2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine

C13H17N3O2 — CID 89277811

IUPAC2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCCc1nc(OCC=C)nc(OCC=C)n1
InChIInChI=1S/C13H17N3O2/c1-4-7-8-11-14-12(17-9-5-2)16-13(15-11)18-10-6-3/h4-6H,1-3,7-10H2
InChIKeyMMLZGVWSGKZXNQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.12
Rot. Bonds9

About 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine

2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine (PubChem CID 89277811) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine
PubChem CID89277811
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCCc1nc(OCC=C)nc(OCC=C)n1
InChIInChI=1S/C13H17N3O2/c1-4-7-8-11-14-12(17-9-5-2)16-13(15-11)18-10-6-3/h4-6H,1-3,7-10H2
InChIKeyMMLZGVWSGKZXNQ-UHFFFAOYSA-N
XLogP2.12
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
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-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine (CID 89277811) is 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine is C=CCCc1nc(OCC=C)nc(OCC=C)n1.
What is the InChIKey of 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The InChIKey is MMLZGVWSGKZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-7-8-11-14-12(17-9-5-2)16-13(15-11)18-10-6-3/h4-6H,1-3,7-10H2.
What are the key properties of 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 247.30 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-4,6-bis(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 89277811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).