6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid

C12H18N4O2 — CID 55135442

IUPAC6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCCN2CCCC2)nn1
InChIInChI=1S/C12H18N4O2/c17-12(18)10-4-5-11(15-14-10)13-6-3-9-16-7-1-2-8-16/h4-5H,1-3,6-9H2,(H,13,15)(H,17,18)
InChIKeyAURPVJXZLGSBSP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.07
Rot. Bonds6

About 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid

6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid (PubChem CID 55135442) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
PubChem CID55135442
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCCN2CCCC2)nn1
InChIInChI=1S/C12H18N4O2/c17-12(18)10-4-5-11(15-14-10)13-6-3-9-16-7-1-2-8-16/h4-5H,1-3,6-9H2,(H,13,15)(H,17,18)
InChIKeyAURPVJXZLGSBSP-UHFFFAOYSA-N
XLogP1.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 66452088
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
CID 62989713
6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
CID 106213762
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
6-(3-methylsulfanylpropylamino)pyridazine-3-carboxylic acid
CID 63959161
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
6-hydrazinyl-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide
CID 62249790
6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
CID 60674018
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid (CID 55135442) is 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(NCCCN2CCCC2)nn1.
What is the InChIKey of 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid?
The InChIKey is AURPVJXZLGSBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(18)10-4-5-11(15-14-10)13-6-3-9-16-7-1-2-8-16/h4-5H,1-3,6-9H2,(H,13,15)(H,17,18).
What are the key properties of 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid?
6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 55135442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).