1,2-dihydropyridazine-3,4-dicarboxylic acid

C6H6N2O4 — CID 57048422

IUPAC1,2-dihydropyridazine-3,4-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)NNC=C1
InChIInChI=1S/C6H6N2O4/c9-5(10)3-1-2-7-8-4(3)6(11)12/h1-2,7-8H,(H,9,10)(H,11,12)
InChIKeyUNGCZKCMPXMZGX-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.97
Rot. Bonds2

About 1,2-dihydropyridazine-3,4-dicarboxylic acid

1,2-dihydropyridazine-3,4-dicarboxylic acid (PubChem CID 57048422) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 1,2-dihydropyridazine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1,2-dihydropyridazine-3,4-dicarboxylic acid
PubChem CID57048422
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name1,2-dihydropyridazine-3,4-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)NNC=C1
InChIInChI=1S/C6H6N2O4/c9-5(10)3-1-2-7-8-4(3)6(11)12/h1-2,7-8H,(H,9,10)(H,11,12)
InChIKeyUNGCZKCMPXMZGX-UHFFFAOYSA-N
XLogP-0.97
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridazine-3,4-dicarboxylic acid?
The IUPAC name of 1,2-dihydropyridazine-3,4-dicarboxylic acid (CID 57048422) is 1,2-dihydropyridazine-3,4-dicarboxylic acid.
What is the SMILES notation for 1,2-dihydropyridazine-3,4-dicarboxylic acid?
The canonical SMILES for 1,2-dihydropyridazine-3,4-dicarboxylic acid is O=C(O)C1=C(C(=O)O)NNC=C1.
What is the InChIKey of 1,2-dihydropyridazine-3,4-dicarboxylic acid?
The InChIKey is UNGCZKCMPXMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c9-5(10)3-1-2-7-8-4(3)6(11)12/h1-2,7-8H,(H,9,10)(H,11,12).
What are the key properties of 1,2-dihydropyridazine-3,4-dicarboxylic acid?
1,2-dihydropyridazine-3,4-dicarboxylic acid has a molecular weight of 170.12 g/mol, XLogP of -0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridazine-3,4-dicarboxylic acid is sourced from PubChem (CID 57048422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).