diethyl 1,3,5-triazine-2,4-dicarboxylate

C9H11N3O4 — CID 134868409

IUPACdiethyl 1,3,5-triazine-2,4-dicarboxylate
SMILESCCOC(=O)c1ncnc(C(=O)OCC)n1
InChIInChI=1S/C9H11N3O4/c1-3-15-8(13)6-10-5-11-7(12-6)9(14)16-4-2/h5H,3-4H2,1-2H3
InChIKeyIDRVRCXUOUGQHZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.22
Rot. Bonds4

About diethyl 1,3,5-triazine-2,4-dicarboxylate

diethyl 1,3,5-triazine-2,4-dicarboxylate (PubChem CID 134868409) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is diethyl 1,3,5-triazine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,3,5-triazine-2,4-dicarboxylate
PubChem CID134868409
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Namediethyl 1,3,5-triazine-2,4-dicarboxylate
SMILESCCOC(=O)c1ncnc(C(=O)OCC)n1
InChIInChI=1S/C9H11N3O4/c1-3-15-8(13)6-10-5-11-7(12-6)9(14)16-4-2/h5H,3-4H2,1-2H3
InChIKeyIDRVRCXUOUGQHZ-UHFFFAOYSA-N
XLogP0.22
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,3,5-triazine-2,4-dicarboxylate?
The IUPAC name of diethyl 1,3,5-triazine-2,4-dicarboxylate (CID 134868409) is diethyl 1,3,5-triazine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 1,3,5-triazine-2,4-dicarboxylate?
The canonical SMILES for diethyl 1,3,5-triazine-2,4-dicarboxylate is CCOC(=O)c1ncnc(C(=O)OCC)n1.
What is the InChIKey of diethyl 1,3,5-triazine-2,4-dicarboxylate?
The InChIKey is IDRVRCXUOUGQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-3-15-8(13)6-10-5-11-7(12-6)9(14)16-4-2/h5H,3-4H2,1-2H3.
What are the key properties of diethyl 1,3,5-triazine-2,4-dicarboxylate?
diethyl 1,3,5-triazine-2,4-dicarboxylate has a molecular weight of 225.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,3,5-triazine-2,4-dicarboxylate is sourced from PubChem (CID 134868409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).