6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid

C12H17N3O2 — CID 61442957

IUPAC6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid
SMILESCCCCN(c1ccc(C(=O)O)nn1)C1CC1
InChIInChI=1S/C12H17N3O2/c1-2-3-8-15(9-4-5-9)11-7-6-10(12(16)17)13-14-11/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyKRDXHQWPHVIEST-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.94
Rot. Bonds6

About 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid

6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid (PubChem CID 61442957) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid
PubChem CID61442957
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid
SMILESCCCCN(c1ccc(C(=O)O)nn1)C1CC1
InChIInChI=1S/C12H17N3O2/c1-2-3-8-15(9-4-5-9)11-7-6-10(12(16)17)13-14-11/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyKRDXHQWPHVIEST-UHFFFAOYSA-N
XLogP1.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclopentyl(ethyl)amino]pyridazine-3-carboxylic acid
CID 60792260
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819
N-butyl-N-cyclopropyl-6-(methylaminomethyl)pyridazin-3-amine
CID 62283591
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid
CID 63657564
2-amino-5-[butyl(cyclopropyl)amino]benzoic acid
CID 61443820
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54985072
6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54990351
N-cyclopropyl-6-(ethylaminomethyl)-N-propylpyridazin-3-amine
CID 62279882
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid (CID 61442957) is 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid is CCCCN(c1ccc(C(=O)O)nn1)C1CC1.
What is the InChIKey of 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is KRDXHQWPHVIEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-3-8-15(9-4-5-9)11-7-6-10(12(16)17)13-14-11/h6-7,9H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid?
6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 61442957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).