3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide

C13H21N5 — CID 80513596

IUPAC3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCC(CC)(CC)C1
InChIInChI=1S/C13H21N5/c1-3-13(4-2)6-8-18(9-13)12-10(11(14)15)5-7-16-17-12/h5,7H,3-4,6,8-9H2,1-2H3,(H3,14,15)
InChIKeyOMRSYGJVGDOMID-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.78
Rot. Bonds4

About 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide

3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide (PubChem CID 80513596) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
PubChem CID80513596
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCC(CC)(CC)C1
InChIInChI=1S/C13H21N5/c1-3-13(4-2)6-8-18(9-13)12-10(11(14)15)5-7-16-17-12/h5,7H,3-4,6,8-9H2,1-2H3,(H3,14,15)
InChIKeyOMRSYGJVGDOMID-UHFFFAOYSA-N
XLogP1.78
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80517336
3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide
CID 80513361
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
CID 80513357
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
CID 80513375
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 115489708
3-bromo-4-(3,3-diethylpyrrolidin-1-yl)benzenecarboximidamide
CID 82799217
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
CID 80513468
[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine
CID 80509117
5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide
CID 114893031
6-(4,4-diethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 64596347
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107117979
2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
CID 81299371

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide (CID 80513596) is 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N1CCC(CC)(CC)C1.
What is the InChIKey of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The InChIKey is OMRSYGJVGDOMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-13(4-2)6-8-18(9-13)12-10(11(14)15)5-7-16-17-12/h5,7H,3-4,6,8-9H2,1-2H3,(H3,14,15).
What are the key properties of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).