2,4,6-tripentoxy-1,3,5-triazine

C18H33N3O3 — CID 66835417

IUPAC2,4,6-tripentoxy-1,3,5-triazine
SMILESCCCCCOc1nc(OCCCCC)nc(OCCCCC)n1
InChIInChI=1S/C18H33N3O3/c1-4-7-10-13-22-16-19-17(23-14-11-8-5-2)21-18(20-16)24-15-12-9-6-3/h4-15H2,1-3H3
InChIKeyXNCSBUHTEWDZQN-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.58
Rot. Bonds15

About 2,4,6-tripentoxy-1,3,5-triazine

2,4,6-tripentoxy-1,3,5-triazine (PubChem CID 66835417) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2,4,6-tripentoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tripentoxy-1,3,5-triazine
PubChem CID66835417
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2,4,6-tripentoxy-1,3,5-triazine
SMILESCCCCCOc1nc(OCCCCC)nc(OCCCCC)n1
InChIInChI=1S/C18H33N3O3/c1-4-7-10-13-22-16-19-17(23-14-11-8-5-2)21-18(20-16)24-15-12-9-6-3/h4-15H2,1-3H3
InChIKeyXNCSBUHTEWDZQN-UHFFFAOYSA-N
XLogP4.58
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine, 4,6-diamino-2-pentoxy-
CID 35117
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2,4,6-Trihexyloxy-sym-triazine
CID 129818487
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2-Chloro-4,6-bis(octyloxy)-1,3,5-triazine
CID 20574708
2,4,6-Tris(2,2-dimethylhexoxy)-1,3,5-triazine
CID 298171
2,4,6-Tris(2-ethylhexoxy)-1,3,5-triazine
CID 298172
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2,4,6-Tri(propan-2-yloxy)-1,3,5-triazine
CID 34531
2,4,6-Tris(2-methylpropoxy)-1,3,5-triazine
CID 35675
2,4,6-Tris(3-methylbutoxy)-1,3,5-triazine
CID 231300
2,4,6-Tri-dodecyloxy-s-triazine
CID 543725

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tripentoxy-1,3,5-triazine?
The IUPAC name of 2,4,6-tripentoxy-1,3,5-triazine (CID 66835417) is 2,4,6-tripentoxy-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tripentoxy-1,3,5-triazine?
The canonical SMILES for 2,4,6-tripentoxy-1,3,5-triazine is CCCCCOc1nc(OCCCCC)nc(OCCCCC)n1.
What is the InChIKey of 2,4,6-tripentoxy-1,3,5-triazine?
The InChIKey is XNCSBUHTEWDZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-7-10-13-22-16-19-17(23-14-11-8-5-2)21-18(20-16)24-15-12-9-6-3/h4-15H2,1-3H3.
What are the key properties of 2,4,6-tripentoxy-1,3,5-triazine?
2,4,6-tripentoxy-1,3,5-triazine has a molecular weight of 339.48 g/mol, XLogP of 4.58, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tripentoxy-1,3,5-triazine is sourced from PubChem (CID 66835417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).