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

C7H9N3O4 — CID 58220548

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) acetate
SMILESCOc1nc(OC)nc(OC(C)=O)n1
InChIInChI=1S/C7H9N3O4/c1-4(11)14-7-9-5(12-2)8-6(10-7)13-3/h1-3H3
InChIKeyPWNCEPNXIVFAEO-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.19
Rot. Bonds3

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) acetate (PubChem CID 58220548) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) acetate
PubChem CID58220548
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) acetate
SMILESCOc1nc(OC)nc(OC(C)=O)n1
InChIInChI=1S/C7H9N3O4/c1-4(11)14-7-9-5(12-2)8-6(10-7)13-3/h1-3H3
InChIKeyPWNCEPNXIVFAEO-UHFFFAOYSA-N
XLogP-0.19
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate (CID 58220548) is (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate is COc1nc(OC)nc(OC(C)=O)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate?
The InChIKey is PWNCEPNXIVFAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-4(11)14-7-9-5(12-2)8-6(10-7)13-3/h1-3H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) acetate has a molecular weight of 199.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) acetate is sourced from PubChem (CID 58220548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).