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

C6H3N3O6 — CID 126638390

IUPAC(4,6-diformyloxy-1,3,5-triazin-2-yl) formate
SMILESO=COc1nc(OC=O)nc(OC=O)n1
InChIInChI=1S/C6H3N3O6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12/h1-3H
InChIKeyBWMBQRYSJFNIJE-UHFFFAOYSA-N
MW213.11 g/mol
LogP-1.52
Rot. Bonds6

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

(4,6-diformyloxy-1,3,5-triazin-2-yl) formate (PubChem CID 126638390) has the molecular formula C6H3N3O6 and a molecular weight of 213.11 g/mol. Its IUPAC name is (4,6-diformyloxy-1,3,5-triazin-2-yl) formate.

Molecular Properties

Compound Name(4,6-diformyloxy-1,3,5-triazin-2-yl) formate
PubChem CID126638390
Molecular FormulaC6H3N3O6
Molecular Weight213.11 g/mol
Exact Mass213.00
IUPAC Name(4,6-diformyloxy-1,3,5-triazin-2-yl) formate
SMILESO=COc1nc(OC=O)nc(OC=O)n1
InChIInChI=1S/C6H3N3O6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12/h1-3H
InChIKeyBWMBQRYSJFNIJE-UHFFFAOYSA-N
XLogP-1.52
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate?
The IUPAC name of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate (CID 126638390) is (4,6-diformyloxy-1,3,5-triazin-2-yl) formate.
What is the SMILES notation for (4,6-diformyloxy-1,3,5-triazin-2-yl) formate?
The canonical SMILES for (4,6-diformyloxy-1,3,5-triazin-2-yl) formate is O=COc1nc(OC=O)nc(OC=O)n1.
What is the InChIKey of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate?
The InChIKey is BWMBQRYSJFNIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O6/c10-1-13-4-7-5(14-2-11)9-6(8-4)15-3-12/h1-3H.
What are the key properties of (4,6-diformyloxy-1,3,5-triazin-2-yl) formate?
(4,6-diformyloxy-1,3,5-triazin-2-yl) formate has a molecular weight of 213.11 g/mol, XLogP of -1.52, 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 is sourced from PubChem (CID 126638390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).