azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate

C11H17NO8 — CID 174956710

IUPACazane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate
SMILESCCO.N.O.O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H6O6.C2H6O.H3N.H2O/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-3;;/h1-3H,(H,10,11)(H,12,13)(H,14,15);3H,2H2,1H3;1H3;1H2
InChIKeyRWABYKRERNARKE-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.12
Rot. Bonds3

About azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate

azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate (PubChem CID 174956710) has the molecular formula C11H17NO8 and a molecular weight of 291.26 g/mol. Its IUPAC name is azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate.

Molecular Properties

Compound Nameazane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate
PubChem CID174956710
Molecular FormulaC11H17NO8
Molecular Weight291.26 g/mol
Exact Mass291.10
IUPAC Nameazane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate
SMILESCCO.N.O.O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H6O6.C2H6O.H3N.H2O/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-3;;/h1-3H,(H,10,11)(H,12,13)(H,14,15);3H,2H2,1H3;1H3;1H2
InChIKeyRWABYKRERNARKE-UHFFFAOYSA-N
XLogP0.12
TPSA198.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate 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

azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
barium(2+);benzene-1,3,5-tricarboxylic acid;hydride
CID 174613622
benzene-1,3,5-tricarboxylic acid;cerium;thorium
CID 175461142
benzene-1,3,5-tricarboxylic acid;europium;lanthanum
CID 174874160
5-ethylsulfanylbenzene-1,3-dicarboxylic acid
CID 70906654
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338
hexan-1-ol;5-methylbenzene-1,3-dicarboxylic acid
CID 174402380
azane;carbonic acid;ethanol
CID 173096974

Frequently Asked Questions

What is the IUPAC name of azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate?
The IUPAC name of azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate (CID 174956710) is azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate.
What is the SMILES notation for azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate?
The canonical SMILES for azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate is CCO.N.O.O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate?
The InChIKey is RWABYKRERNARKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6.C2H6O.H3N.H2O/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-3;;/h1-3H,(H,10,11)(H,12,13)(H,14,15);3H,2H2,1H3;1H3;1H2.
What are the key properties of azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate?
azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate has a molecular weight of 291.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene-1,3,5-tricarboxylic acid;ethanol;hydrate is sourced from PubChem (CID 174956710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).