(4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate

C9H9N3O6 — CID 527095

IUPAC(4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate
SMILESCC(=O)Oc1nc(OC(C)=O)nc(OC(C)=O)n1
InChIInChI=1S/C9H9N3O6/c1-4(13)16-7-10-8(17-5(2)14)12-9(11-7)18-6(3)15/h1-3H3
InChIKeyPFUVVDDZFYZPOO-UHFFFAOYSA-N
MW255.19 g/mol
LogP-0.35
Rot. Bonds3

About (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate

(4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate (PubChem CID 527095) has the molecular formula C9H9N3O6 and a molecular weight of 255.19 g/mol. Its IUPAC name is (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate.

Molecular Properties

Compound Name(4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate
PubChem CID527095
Molecular FormulaC9H9N3O6
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name(4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate
SMILESCC(=O)Oc1nc(OC(C)=O)nc(OC(C)=O)n1
InChIInChI=1S/C9H9N3O6/c1-4(13)16-7-10-8(17-5(2)14)12-9(11-7)18-6(3)15/h1-3H3
InChIKeyPFUVVDDZFYZPOO-UHFFFAOYSA-N
XLogP-0.35
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4,6-Dimethoxy-1,3,5-triazin-2-yl 2,2-dimethylpropanoate
CID 14783080
((4,6-Bis(((acetyloxy)methyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl acetate
CID 361182
[4,6-Bis(2-methylpropanoyloxy)-1,3,5-triazin-2-yl] 2-methylpropanoate
CID 11595262
[4,6-Di(propanoyloxy)-1,3,5-triazin-2-yl] propanoate
CID 20363372
Sodium 4,6-diacetyloxy-1,3,5-triazin-2-olate
CID 23718703
(4,6-Dimethoxy-1,3,5-triazin-2-yl) acetate
CID 58220548
(4,6-Diformyloxy-1,3,5-triazin-2-yl) formate;ethane
CID 145263178
(4,6-Dimethoxy-1,3,5-triazin-2-yl) propanoate
CID 147472445
(4,6-Diethoxy-1,3,5-triazin-2-yl) formate
CID 155415697
Azanium;1,3,5-triazine-2,4,6-triamine;acetate
CID 162300340
(4,6-Diamino-1,3,5-triazin-2-yl) acetate
CID 175605580
[4,6-Bis(2,2-dimethylpropanoyloxy)-1,3,5-triazin-2-yl] 2,2-dimethylpropanoate
CID 16663729

Frequently Asked Questions

What is the IUPAC name of (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate?
The IUPAC name of (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate (CID 527095) is (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate.
What is the SMILES notation for (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate?
The canonical SMILES for (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate is CC(=O)Oc1nc(OC(C)=O)nc(OC(C)=O)n1.
What is the InChIKey of (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate?
The InChIKey is PFUVVDDZFYZPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O6/c1-4(13)16-7-10-8(17-5(2)14)12-9(11-7)18-6(3)15/h1-3H3.
What are the key properties of (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate?
(4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate has a molecular weight of 255.19 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diacetyloxy-1,3,5-triazin-2-yl) acetate is sourced from PubChem (CID 527095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).