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

C12H11N3O4 — CID 14783082

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate
SMILESCOc1nc(OC)nc(OC(=O)c2ccccc2)n1
InChIInChI=1S/C12H11N3O4/c1-17-10-13-11(18-2)15-12(14-10)19-9(16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyVGTUHDAGPZJXKG-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.11
Rot. Bonds4

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

(4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate (PubChem CID 14783082) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate
PubChem CID14783082
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate
SMILESCOc1nc(OC)nc(OC(=O)c2ccccc2)n1
InChIInChI=1S/C12H11N3O4/c1-17-10-13-11(18-2)15-12(14-10)19-9(16)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyVGTUHDAGPZJXKG-UHFFFAOYSA-N
XLogP1.11
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.11
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) benzoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate (CID 14783082) is (4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate is COc1nc(OC)nc(OC(=O)c2ccccc2)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate?
The InChIKey is VGTUHDAGPZJXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-17-10-13-11(18-2)15-12(14-10)19-9(16)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) benzoate has a molecular weight of 261.24 g/mol, XLogP of 1.11, 4 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) benzoate is sourced from PubChem (CID 14783082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).