triethyl 1,3,5-triazine-2,4,6-tricarboxylate

C12H15N3O6 — CID 13478

IUPACtriethyl 1,3,5-triazine-2,4,6-tricarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1
InChIInChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3
InChIKeyLKNPNZKIOSOWES-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.40
Rot. Bonds6

About triethyl 1,3,5-triazine-2,4,6-tricarboxylate

triethyl 1,3,5-triazine-2,4,6-tricarboxylate (PubChem CID 13478) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is triethyl 1,3,5-triazine-2,4,6-tricarboxylate.

Molecular Properties

Compound Nametriethyl 1,3,5-triazine-2,4,6-tricarboxylate
PubChem CID13478
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Nametriethyl 1,3,5-triazine-2,4,6-tricarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1
InChIInChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3
InChIKeyLKNPNZKIOSOWES-UHFFFAOYSA-N
XLogP0.40
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
CID 943313
Ethyl 2-[cyano-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]acetate
CID 1587470
Ethyl 1,3,5-triazine-2-carboxylate
CID 23260906
Ethyl 4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxylate
CID 76331064
Ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 13416497
2,4,6-Tris(t-butoxycarbonyl)-1,3,5-triazine
CID 85956319
Methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
CID 101415767
Ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
CID 101415769
Diethyl 1,3,5-triazine-2,4-dicarboxylate
CID 134868409
Ethyl 4-amino-6-methoxy-1,3,5-triazine-2-carboxylate
CID 134989167
Diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate
CID 132821491
Ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate
CID 597760

Frequently Asked Questions

What is the IUPAC name of triethyl 1,3,5-triazine-2,4,6-tricarboxylate?
The IUPAC name of triethyl 1,3,5-triazine-2,4,6-tricarboxylate (CID 13478) is triethyl 1,3,5-triazine-2,4,6-tricarboxylate.
What is the SMILES notation for triethyl 1,3,5-triazine-2,4,6-tricarboxylate?
The canonical SMILES for triethyl 1,3,5-triazine-2,4,6-tricarboxylate is CCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1.
What is the InChIKey of triethyl 1,3,5-triazine-2,4,6-tricarboxylate?
The InChIKey is LKNPNZKIOSOWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3.
What are the key properties of triethyl 1,3,5-triazine-2,4,6-tricarboxylate?
triethyl 1,3,5-triazine-2,4,6-tricarboxylate has a molecular weight of 297.27 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 1,3,5-triazine-2,4,6-tricarboxylate is sourced from PubChem (CID 13478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).