3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide

C13H22N6 — CID 80513357

IUPAC3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCN(C(C)CC)CC1
InChIInChI=1S/C13H22N6/c1-3-10(2)18-6-8-19(9-7-18)13-11(12(14)15)4-5-16-17-13/h4-5,10H,3,6-9H2,1-2H3,(H3,14,15)
InChIKeyGAXFQMDUBNLVNQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.68
Rot. Bonds4

About 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide

3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide (PubChem CID 80513357) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
PubChem CID80513357
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CCN(C(C)CC)CC1
InChIInChI=1S/C13H22N6/c1-3-10(2)18-6-8-19(9-7-18)13-11(12(14)15)4-5-16-17-13/h4-5,10H,3,6-9H2,1-2H3,(H3,14,15)
InChIKeyGAXFQMDUBNLVNQ-UHFFFAOYSA-N
XLogP0.68
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbothioamide
CID 80511238
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
CID 80513375
4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
CID 62947534
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 80513596
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62773452
3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide
CID 80513361
2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 114883773
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 80509834
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
CID 80513468
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483527

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide (CID 80513357) is 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N1CCN(C(C)CC)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide?
The InChIKey is GAXFQMDUBNLVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-3-10(2)18-6-8-19(9-7-18)13-11(12(14)15)4-5-16-17-13/h4-5,10H,3,6-9H2,1-2H3,(H3,14,15).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide?
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).