2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine

C12H9N3O3 — CID 135389592

IUPAC2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine
SMILESCC#COc1nc(OC#CC)nc(OC#CC)n1
InChIInChI=1S/C12H9N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-3H3
InChIKeySIZJLXCZLQAXQT-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.95
Rot. Bonds3

About 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine

2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine (PubChem CID 135389592) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine
PubChem CID135389592
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine
SMILESCC#COc1nc(OC#CC)nc(OC#CC)n1
InChIInChI=1S/C12H9N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-3H3
InChIKeySIZJLXCZLQAXQT-UHFFFAOYSA-N
XLogP0.95
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Stk047125
CID 2827992
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2-Azido-4,6-bis(propynyloxy)-1,3,5-triazine
CID 129773881
Potassium 4,6-dipropoxy-1,3,5-triazin-2-olate
CID 23671964
2,4,6-Tris(4-methoxybut-2-ynoxy)-1,3,5-triazine
CID 59046668
2-Butoxy-4,6-dimethoxy-1,3,5-triazine
CID 89584636
2-But-3-ynoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
CID 132240255
2,4,6-Tris(but-3-ynoxy)-1,3,5-triazine
CID 154180804
2,4-Dimethoxy-6-propoxy-1,3,5-triazine
CID 155610324
Ethane;2,4,6-trimethoxy-1,3,5-triazine
CID 177314016
2,4,6-Tris(but-2-ynoxy)-1,3,5-triazine
CID 57373104

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine (CID 135389592) is 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine is CC#COc1nc(OC#CC)nc(OC#CC)n1.
What is the InChIKey of 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine?
The InChIKey is SIZJLXCZLQAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-3H3.
What are the key properties of 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine?
2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine has a molecular weight of 243.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(prop-1-ynoxy)-1,3,5-triazine is sourced from PubChem (CID 135389592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).