2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine

C12H15N3O6 — CID 90471145

IUPAC2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine
SMILESC(Oc1nc(OC[C@@H]2CO2)nc(OC[C@@H]2CO2)n1)[C@@H]1CO1
InChIInChI=1S/C12H15N3O6/c1-7(16-1)4-19-10-13-11(20-5-8-2-17-8)15-12(14-10)21-6-9-3-18-9/h7-9H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyBLPURQSRCDKZNX-CIUDSAMLSA-N
MW297.27 g/mol
LogP-0.80
Rot. Bonds9

About 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine

2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine (PubChem CID 90471145) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine
PubChem CID90471145
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine
SMILESC(Oc1nc(OC[C@@H]2CO2)nc(OC[C@@H]2CO2)n1)[C@@H]1CO1
InChIInChI=1S/C12H15N3O6/c1-7(16-1)4-19-10-13-11(20-5-8-2-17-8)15-12(14-10)21-6-9-3-18-9/h7-9H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyBLPURQSRCDKZNX-CIUDSAMLSA-N
XLogP-0.80
TPSA103.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine (CID 90471145) is 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine is C(Oc1nc(OC[C@@H]2CO2)nc(OC[C@@H]2CO2)n1)[C@@H]1CO1.
What is the InChIKey of 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine?
The InChIKey is BLPURQSRCDKZNX-CIUDSAMLSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-7(16-1)4-19-10-13-11(20-5-8-2-17-8)15-12(14-10)21-6-9-3-18-9/h7-9H,1-6H2/t7-,8-,9-/m0/s1.
What are the key properties of 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine?
2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine has a molecular weight of 297.27 g/mol, XLogP of -0.80, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[[(2S)-oxiran-2-yl]methoxy]-1,3,5-triazine is sourced from PubChem (CID 90471145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).