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

C12H17N3O3 — CID 59087621

IUPAC2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCCC)n1
InChIInChI=1S/C12H17N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyFXBSPNLVTZQRLN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.79
Rot. Bonds9

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

2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine (PubChem CID 59087621) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine
PubChem CID59087621
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCCC)n1
InChIInChI=1S/C12H17N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyFXBSPNLVTZQRLN-UHFFFAOYSA-N
XLogP1.79
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triallyl cyanurate
CID 7555
s-Triazine, 2-(allyloxy)-4,6-diamino-
CID 22721
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
2-(Allyloxy)-4,6-dichloro-1,3,5-triazine
CID 33571
2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
2,4,6-Tris[(2-methyl-2-propen-1-yl)oxy]-1,3,5-triazine
CID 13761104
2,4-Diallyloxy-6-t-butylperoxy-1,3,5-triazine
CID 20029046
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
4,6-Diallyloxy-2-decyloxy-1,3,5-triazine
CID 16205645

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine (CID 59087621) is 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(OCCC)n1.
What is the InChIKey of 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine?
The InChIKey is FXBSPNLVTZQRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine?
2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine has a molecular weight of 251.29 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 59087621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).