6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid

C10H11N5O2 — CID 54951300

IUPAC6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCn2cccn2)nn1
InChIInChI=1S/C10H11N5O2/c16-10(17)8-2-3-9(14-13-8)11-5-7-15-6-1-4-12-15/h1-4,6H,5,7H2,(H,11,14)(H,16,17)
InChIKeyPGGLSMIHEASIFE-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.48
Rot. Bonds5

About 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid

6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid (PubChem CID 54951300) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
PubChem CID54951300
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCn2cccn2)nn1
InChIInChI=1S/C10H11N5O2/c16-10(17)8-2-3-9(14-13-8)11-5-7-15-6-1-4-12-15/h1-4,6H,5,7H2,(H,11,14)(H,16,17)
InChIKeyPGGLSMIHEASIFE-UHFFFAOYSA-N
XLogP0.48
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide
CID 115690608
2-(2-pyrazol-1-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553542
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62243686
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
CID 55135442
2-bromo-4-(2-pyrazol-1-ylethylamino)benzoic acid
CID 107281839
6-[2-[ethyl(methyl)amino]ethylamino]pyridazine-3-carboxylic acid
CID 62634269
6-amino-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62186175
4-(2-pyrazol-1-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62711712
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid (CID 54951300) is 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(NCCn2cccn2)nn1.
What is the InChIKey of 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid?
The InChIKey is PGGLSMIHEASIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-10(17)8-2-3-9(14-13-8)11-5-7-15-6-1-4-12-15/h1-4,6H,5,7H2,(H,11,14)(H,16,17).
What are the key properties of 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid?
6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 54951300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).