diazinane-3,4,5-tricarboxylic acid

C7H10N2O6 — CID 141079262

IUPACdiazinane-3,4,5-tricarboxylic acid
SMILESO=C(O)C1CNNC(C(=O)O)C1C(=O)O
InChIInChI=1S/C7H10N2O6/c10-5(11)2-1-8-9-4(7(14)15)3(2)6(12)13/h2-4,8-9H,1H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyVWWKQTSVCPHWRE-UHFFFAOYSA-N
MW218.16 g/mol
LogP-2.05
Rot. Bonds3

About diazinane-3,4,5-tricarboxylic acid

diazinane-3,4,5-tricarboxylic acid (PubChem CID 141079262) has the molecular formula C7H10N2O6 and a molecular weight of 218.16 g/mol. Its IUPAC name is diazinane-3,4,5-tricarboxylic acid.

Molecular Properties

Compound Namediazinane-3,4,5-tricarboxylic acid
PubChem CID141079262
Molecular FormulaC7H10N2O6
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Namediazinane-3,4,5-tricarboxylic acid
SMILESO=C(O)C1CNNC(C(=O)O)C1C(=O)O
InChIInChI=1S/C7H10N2O6/c10-5(11)2-1-8-9-4(7(14)15)3(2)6(12)13/h2-4,8-9H,1H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyVWWKQTSVCPHWRE-UHFFFAOYSA-N
XLogP-2.05
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid
CID 93495387
(3R)-diazinane-3,4-dicarboxylic acid
CID 70072586
(3R,4R,5R)-4,5-dihydroxydiazinane-3-carboxylic acid
CID 93495388
4,5-dihydroxydiazinane-3-carboxylic acid
CID 45082434
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949
1-(3-methylpyrazolidin-4-yl)ethanone
CID 170905610
3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
CID 53441832
3-methylazetidine-2-carboxylic acid
CID 22326246
(2S,3R,5R)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid;(2S,3R,5S)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid
CID 157305496
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692

Frequently Asked Questions

What is the IUPAC name of diazinane-3,4,5-tricarboxylic acid?
The IUPAC name of diazinane-3,4,5-tricarboxylic acid (CID 141079262) is diazinane-3,4,5-tricarboxylic acid.
What is the SMILES notation for diazinane-3,4,5-tricarboxylic acid?
The canonical SMILES for diazinane-3,4,5-tricarboxylic acid is O=C(O)C1CNNC(C(=O)O)C1C(=O)O.
What is the InChIKey of diazinane-3,4,5-tricarboxylic acid?
The InChIKey is VWWKQTSVCPHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O6/c10-5(11)2-1-8-9-4(7(14)15)3(2)6(12)13/h2-4,8-9H,1H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of diazinane-3,4,5-tricarboxylic acid?
diazinane-3,4,5-tricarboxylic acid has a molecular weight of 218.16 g/mol, XLogP of -2.05, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazinane-3,4,5-tricarboxylic acid is sourced from PubChem (CID 141079262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).