(4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane

C8H9N3O6 — CID 145263178

IUPAC(4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane
SMILESCC.O=COc1nc(OC=O)nc(OC=O)n1
InChIInChI=1S/C6H3N3O6.C2H6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12;1-2/h1-3H;1-2H3
InChIKeyAOVQMSQVFSITHZ-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.50
Rot. Bonds6

About (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane

(4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane (PubChem CID 145263178) has the molecular formula C8H9N3O6 and a molecular weight of 243.18 g/mol. Its IUPAC name is (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane.

Molecular Properties

Compound Name(4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane
PubChem CID145263178
Molecular FormulaC8H9N3O6
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name(4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane
SMILESCC.O=COc1nc(OC=O)nc(OC=O)n1
InChIInChI=1S/C6H3N3O6.C2H6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12;1-2/h1-3H;1-2H3
InChIKeyAOVQMSQVFSITHZ-UHFFFAOYSA-N
XLogP-0.50
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(4,6-Diacetyloxy-1,3,5-triazin-2-yl) acetate
CID 527095
(4,6-Dimethoxy-1,3,5-triazin-2-yl) acetate
CID 58220548
(4,6-Diformyloxy-1,3,5-triazin-2-yl) formate
CID 126638390
(4,6-Dimethoxy-1,3,5-triazin-2-yl) formate
CID 130246214
(4,6-Diethoxy-1,3,5-triazin-2-yl) formate
CID 155415697
(4,6-Dimethoxy-1,3,5-triazin-2-yl) formate;ethane
CID 156791793
Ethyl formate;1,3,5-triazine-2,4,6-triamine
CID 174654073
Methyl formate;1,3,5-triazine-2,4,6-triamine
CID 174808807
Ethane;2,4,6-trimethoxy-1,3,5-triazine
CID 177314016

Frequently Asked Questions

What is the IUPAC name of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane?
The IUPAC name of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane (CID 145263178) is (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane.
What is the SMILES notation for (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane?
The canonical SMILES for (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane is CC.O=COc1nc(OC=O)nc(OC=O)n1.
What is the InChIKey of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane?
The InChIKey is AOVQMSQVFSITHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O6.C2H6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12;1-2/h1-3H;1-2H3.
What are the key properties of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane?
(4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane has a molecular weight of 243.18 g/mol, XLogP of -0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diformyloxy-1,3,5-triazin-2-yl) formate;ethane is sourced from PubChem (CID 145263178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).