1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane

C12H27N3O3 — CID 57077875

IUPAC1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
SMILESCOCCN1CN(CCOC)CN(CCOC)C1
InChIInChI=1S/C12H27N3O3/c1-16-7-4-13-10-14(5-8-17-2)12-15(11-13)6-9-18-3/h4-12H2,1-3H3
InChIKeyFYBQUARQRSXEOP-UHFFFAOYSA-N
MW261.37 g/mol
LogP-0.28
Rot. Bonds9

About 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane

1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane (PubChem CID 57077875) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane.

Molecular Properties

Compound Name1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
PubChem CID57077875
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC Name1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
SMILESCOCCN1CN(CCOC)CN(CCOC)C1
InChIInChI=1S/C12H27N3O3/c1-16-7-4-13-10-14(5-8-17-2)12-15(11-13)6-9-18-3/h4-12H2,1-3H3
InChIKeyFYBQUARQRSXEOP-UHFFFAOYSA-N
XLogP-0.28
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane?
The IUPAC name of 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane (CID 57077875) is 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane.
What is the SMILES notation for 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane?
The canonical SMILES for 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane is COCCN1CN(CCOC)CN(CCOC)C1.
What is the InChIKey of 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane?
The InChIKey is FYBQUARQRSXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-16-7-4-13-10-14(5-8-17-2)12-15(11-13)6-9-18-3/h4-12H2,1-3H3.
What are the key properties of 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane?
1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane has a molecular weight of 261.37 g/mol, XLogP of -0.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane is sourced from PubChem (CID 57077875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).