3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol

C12H15N3O6 — CID 70571868

IUPAC3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol
SMILESOC=CCOc1nc(OCC=CO)nc(OCC=CO)n1
InChIInChI=1S/C12H15N3O6/c16-4-1-7-19-10-13-11(20-8-2-5-17)15-12(14-10)21-9-3-6-18/h1-6,16-18H,7-9H2
InChIKeyNTOXCVBRXFRBBY-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.22
Rot. Bonds9

About 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol

3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol (PubChem CID 70571868) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol.

Molecular Properties

Compound Name3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol
PubChem CID70571868
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol
SMILESOC=CCOc1nc(OCC=CO)nc(OCC=CO)n1
InChIInChI=1S/C12H15N3O6/c16-4-1-7-19-10-13-11(20-8-2-5-17)15-12(14-10)21-9-3-6-18/h1-6,16-18H,7-9H2
InChIKeyNTOXCVBRXFRBBY-UHFFFAOYSA-N
XLogP1.22
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol with MolForge

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Related Compounds

Triallyl cyanurate
CID 7555
2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
2,4-Bis(prop-2-enoxy)-6-prop-2-ynoxy-1,3,5-triazine
CID 20188882
2-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 19894488
2,4-Diethoxy-6-prop-2-enoxy-1,3,5-triazine
CID 21489715
2-Ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 22628792
2-Prop-2-enoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
CID 54568099
2,4-Bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine
CID 59087621
1-[[4,6-Bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol
CID 67082402

Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol?
The IUPAC name of 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol (CID 70571868) is 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol.
What is the SMILES notation for 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol?
The canonical SMILES for 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol is OC=CCOc1nc(OCC=CO)nc(OCC=CO)n1.
What is the InChIKey of 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol?
The InChIKey is NTOXCVBRXFRBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c16-4-1-7-19-10-13-11(20-8-2-5-17)15-12(14-10)21-9-3-6-18/h1-6,16-18H,7-9H2.
What are the key properties of 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol?
3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol has a molecular weight of 297.27 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol is sourced from PubChem (CID 70571868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).