ethane;2,4,6-trimethoxy-1,3,5-triazine

C8H15N3O3 — CID 177314016

IUPACethane;2,4,6-trimethoxy-1,3,5-triazine
SMILESCC.COc1nc(OC)nc(OC)n1
InChIInChI=1S/C6H9N3O3.C2H6/c1-10-4-7-5(11-2)9-6(8-4)12-3;1-2/h1-3H3;1-2H3
InChIKeyWXXOMCXMIUUKBY-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.92
Rot. Bonds3

About ethane;2,4,6-trimethoxy-1,3,5-triazine

ethane;2,4,6-trimethoxy-1,3,5-triazine (PubChem CID 177314016) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is ethane;2,4,6-trimethoxy-1,3,5-triazine.

Molecular Properties

Compound Nameethane;2,4,6-trimethoxy-1,3,5-triazine
PubChem CID177314016
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Nameethane;2,4,6-trimethoxy-1,3,5-triazine
SMILESCC.COc1nc(OC)nc(OC)n1
InChIInChI=1S/C6H9N3O3.C2H6/c1-10-4-7-5(11-2)9-6(8-4)12-3;1-2/h1-3H3;1-2H3
InChIKeyWXXOMCXMIUUKBY-UHFFFAOYSA-N
XLogP0.92
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2,4,6-trimethoxy-1,3,5-triazine?
The IUPAC name of ethane;2,4,6-trimethoxy-1,3,5-triazine (CID 177314016) is ethane;2,4,6-trimethoxy-1,3,5-triazine.
What is the SMILES notation for ethane;2,4,6-trimethoxy-1,3,5-triazine?
The canonical SMILES for ethane;2,4,6-trimethoxy-1,3,5-triazine is CC.COc1nc(OC)nc(OC)n1.
What is the InChIKey of ethane;2,4,6-trimethoxy-1,3,5-triazine?
The InChIKey is WXXOMCXMIUUKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3.C2H6/c1-10-4-7-5(11-2)9-6(8-4)12-3;1-2/h1-3H3;1-2H3.
What are the key properties of ethane;2,4,6-trimethoxy-1,3,5-triazine?
ethane;2,4,6-trimethoxy-1,3,5-triazine has a molecular weight of 201.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,6-trimethoxy-1,3,5-triazine is sourced from PubChem (CID 177314016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).