copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid

C11H13CuN3O6 — CID 175063962

IUPACcopper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid
SMILESCCCCCOC(=O)c1nnnc(C(=O)O)c1C(=O)O.[Cu]
InChIInChI=1S/C11H13N3O6.Cu/c1-2-3-4-5-20-11(19)8-6(9(15)16)7(10(17)18)12-14-13-8;/h2-5H2,1H3,(H,15,16)(H,17,18);
InChIKeyQWOCLDCZGNUWTH-UHFFFAOYSA-N
MW346.79 g/mol
LogP0.61
Rot. Bonds7

About copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid

copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid (PubChem CID 175063962) has the molecular formula C11H13CuN3O6 and a molecular weight of 346.79 g/mol. Its IUPAC name is copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid.

Molecular Properties

Compound Namecopper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid
PubChem CID175063962
Molecular FormulaC11H13CuN3O6
Molecular Weight346.79 g/mol
Exact Mass346.01
IUPAC Namecopper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid
SMILESCCCCCOC(=O)c1nnnc(C(=O)O)c1C(=O)O.[Cu]
InChIInChI=1S/C11H13N3O6.Cu/c1-2-3-4-5-20-11(19)8-6(9(15)16)7(10(17)18)12-14-13-8;/h2-5H2,1H3,(H,15,16)(H,17,18);
InChIKeyQWOCLDCZGNUWTH-UHFFFAOYSA-N
XLogP0.61
TPSA139.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-bis(dodecoxycarbonyl)pyrazine-2,3-dicarboxylic acid
CID 20554664
bis(6-heptoxycarbonylbenzene-1,2,3,4,5-pentacarboxylic acid);5-heptoxycarbonyl-6-nonoxycarbonylbenzene-1,2,3,4-tetracarboxylic acid
CID 175125870
bis(6-ethoxycarbonylbenzene-1,2,3,4,5-pentacarboxylic acid);5-ethoxycarbonyl-6-hexoxycarbonylbenzene-1,2,3,4-tetracarboxylic acid
CID 175469455
4-octadecoxycarbonylbenzene-1,2,3-tricarboxylic acid
CID 141143977
3-octoxycarbonylphthalic acid
CID 141109904
dipentyl 3,4,5,6-tetramethylbenzene-1,2-dicarboxylate
CID 122444784
tetraoctyl benzene-1,2,3,4-tetracarboxylate
CID 68783223
tetraundecyl benzene-1,2,3,4-tetracarboxylate
CID 141409401
nonyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 91732266
2-octoxycarbonyl-6-tridecylbenzoic acid
CID 175315172
2-hexoxycarbonyl-6-hexylbenzoic acid
CID 67880160
diheptadecyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 101318094

Frequently Asked Questions

What is the IUPAC name of copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid?
The IUPAC name of copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid (CID 175063962) is copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid.
What is the SMILES notation for copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid?
The canonical SMILES for copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid is CCCCCOC(=O)c1nnnc(C(=O)O)c1C(=O)O.[Cu].
What is the InChIKey of copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid?
The InChIKey is QWOCLDCZGNUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6.Cu/c1-2-3-4-5-20-11(19)8-6(9(15)16)7(10(17)18)12-14-13-8;/h2-5H2,1H3,(H,15,16)(H,17,18);.
What are the key properties of copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid?
copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid has a molecular weight of 346.79 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;6-pentoxycarbonyltriazine-4,5-dicarboxylic acid is sourced from PubChem (CID 175063962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).