4-aminopyridazine-3-carboxylic acid

C5H5N3O2 — CID 6402483

IUPAC4-aminopyridazine-3-carboxylic acid
SMILESNc1ccnnc1C(=O)O
InChIInChI=1S/C5H5N3O2/c6-3-1-2-7-8-4(3)5(9)10/h1-2H,(H2,6,7)(H,9,10)
InChIKeyIYLFGIFKHIUQSL-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.24
Rot. Bonds1

About 4-aminopyridazine-3-carboxylic acid

4-aminopyridazine-3-carboxylic acid (PubChem CID 6402483) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 4-aminopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-aminopyridazine-3-carboxylic acid
PubChem CID6402483
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name4-aminopyridazine-3-carboxylic acid
SMILESNc1ccnnc1C(=O)O
InChIInChI=1S/C5H5N3O2/c6-3-1-2-7-8-4(3)5(9)10/h1-2H,(H2,6,7)(H,9,10)
InChIKeyIYLFGIFKHIUQSL-UHFFFAOYSA-N
XLogP-0.24
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridazine-3-carboxylic acid
CID 269369
Methyl 5-aminopyridazine-3-carboxylate
CID 131477264
Pyridazine-3,4-dicarboxylic acid
CID 14596116
4-Amino-6-chloropyridazine-3-carboxylic acid
CID 73012699
Isoxazolo pyridazinone
CID 126665903
4-Fluoropyridazine-3-carboxylic acid
CID 118989539
4-(4-Fluoroanilino)pyridazine-3-carboxylic acid
CID 155250939
4-Amino-6-(trifluoromethyl)pyridazine-3-carboxylic acid
CID 176317386
5-Fluoropyridazine-3-carboxylic acid
CID 176600118
4-Methylpyridazine-3-carboxylic acid
CID 19991463
4-(4,5-Dihydroimidazol-1-yl)pyridazine-3-carboxylic acid
CID 22075924
6-(Aminomethyl)pyridazine-4-carboxylic acid
CID 22099266

Frequently Asked Questions

What is the IUPAC name of 4-aminopyridazine-3-carboxylic acid?
The IUPAC name of 4-aminopyridazine-3-carboxylic acid (CID 6402483) is 4-aminopyridazine-3-carboxylic acid.
What is the SMILES notation for 4-aminopyridazine-3-carboxylic acid?
The canonical SMILES for 4-aminopyridazine-3-carboxylic acid is Nc1ccnnc1C(=O)O.
What is the InChIKey of 4-aminopyridazine-3-carboxylic acid?
The InChIKey is IYLFGIFKHIUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-3-1-2-7-8-4(3)5(9)10/h1-2H,(H2,6,7)(H,9,10).
What are the key properties of 4-aminopyridazine-3-carboxylic acid?
4-aminopyridazine-3-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyridazine-3-carboxylic acid is sourced from PubChem (CID 6402483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).