6-(2-phenylethylamino)pyridazine-3-carboxylic acid

C13H13N3O2 — CID 10332018

IUPAC6-(2-phenylethylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccccc2)nn1
InChIInChI=1S/C13H13N3O2/c17-13(18)11-6-7-12(16-15-11)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16)(H,17,18)
InChIKeyUVIKLSRPQVHXSX-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds5

About 6-(2-phenylethylamino)pyridazine-3-carboxylic acid

6-(2-phenylethylamino)pyridazine-3-carboxylic acid (PubChem CID 10332018) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(2-phenylethylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-phenylethylamino)pyridazine-3-carboxylic acid
PubChem CID10332018
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-(2-phenylethylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccccc2)nn1
InChIInChI=1S/C13H13N3O2/c17-13(18)11-6-7-12(16-15-11)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16)(H,17,18)
InChIKeyUVIKLSRPQVHXSX-UHFFFAOYSA-N
XLogP1.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121554
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121525
6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
CID 54951300
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2-phenylethylamino)pyridazine-3-carboxylic acid (CID 10332018) is 6-(2-phenylethylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2-phenylethylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2-phenylethylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(NCCc2ccccc2)nn1.
What is the InChIKey of 6-(2-phenylethylamino)pyridazine-3-carboxylic acid?
The InChIKey is UVIKLSRPQVHXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)11-6-7-12(16-15-11)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16)(H,17,18).
What are the key properties of 6-(2-phenylethylamino)pyridazine-3-carboxylic acid?
6-(2-phenylethylamino)pyridazine-3-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 10332018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).