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

C8H11N3O4 — CID 155415697

IUPAC(4,6-diethoxy-1,3,5-triazin-2-yl) formate
SMILESCCOc1nc(OC=O)nc(OCC)n1
InChIInChI=1S/C8H11N3O4/c1-3-13-6-9-7(14-4-2)11-8(10-6)15-5-12/h5H,3-4H2,1-2H3
InChIKeyAPDJGGFXDJTAPF-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.20
Rot. Bonds6

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

(4,6-diethoxy-1,3,5-triazin-2-yl) formate (PubChem CID 155415697) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is (4,6-diethoxy-1,3,5-triazin-2-yl) formate.

Molecular Properties

Compound Name(4,6-diethoxy-1,3,5-triazin-2-yl) formate
PubChem CID155415697
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(4,6-diethoxy-1,3,5-triazin-2-yl) formate
SMILESCCOc1nc(OC=O)nc(OCC)n1
InChIInChI=1S/C8H11N3O4/c1-3-13-6-9-7(14-4-2)11-8(10-6)15-5-12/h5H,3-4H2,1-2H3
InChIKeyAPDJGGFXDJTAPF-UHFFFAOYSA-N
XLogP0.20
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-diethoxy-1,3,5-triazin-2-yl) formate?
The IUPAC name of (4,6-diethoxy-1,3,5-triazin-2-yl) formate (CID 155415697) is (4,6-diethoxy-1,3,5-triazin-2-yl) formate.
What is the SMILES notation for (4,6-diethoxy-1,3,5-triazin-2-yl) formate?
The canonical SMILES for (4,6-diethoxy-1,3,5-triazin-2-yl) formate is CCOc1nc(OC=O)nc(OCC)n1.
What is the InChIKey of (4,6-diethoxy-1,3,5-triazin-2-yl) formate?
The InChIKey is APDJGGFXDJTAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-3-13-6-9-7(14-4-2)11-8(10-6)15-5-12/h5H,3-4H2,1-2H3.
What are the key properties of (4,6-diethoxy-1,3,5-triazin-2-yl) formate?
(4,6-diethoxy-1,3,5-triazin-2-yl) formate has a molecular weight of 213.19 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diethoxy-1,3,5-triazin-2-yl) formate is sourced from PubChem (CID 155415697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).