3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine

C11H13ClN4 — CID 86629217

IUPAC3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine
SMILESClc1ccc(CCCCn2ccnc2)nn1
InChIInChI=1S/C11H13ClN4/c12-11-5-4-10(14-15-11)3-1-2-7-16-8-6-13-9-16/h4-6,8-9H,1-3,7H2
InChIKeyMSKGYSZTMFUAQF-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.35
Rot. Bonds5

About 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine

3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine (PubChem CID 86629217) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine
PubChem CID86629217
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine
SMILESClc1ccc(CCCCn2ccnc2)nn1
InChIInChI=1S/C11H13ClN4/c12-11-5-4-10(14-15-11)3-1-2-7-16-8-6-13-9-16/h4-6,8-9H,1-3,7H2
InChIKeyMSKGYSZTMFUAQF-UHFFFAOYSA-N
XLogP2.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(8-phenyloctyl)imidazole
CID 102394184
1-[6-(4-bromophenyl)hexyl]imidazole
CID 141475213
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 114140354
7-imidazol-1-ylheptane-1-thiol
CID 156850258
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
1-nonylimidazole;hydrobromide
CID 175434544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine?
The IUPAC name of 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine (CID 86629217) is 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine is Clc1ccc(CCCCn2ccnc2)nn1.
What is the InChIKey of 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine?
The InChIKey is MSKGYSZTMFUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-11-5-4-10(14-15-11)3-1-2-7-16-8-6-13-9-16/h4-6,8-9H,1-3,7H2.
What are the key properties of 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine?
3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine has a molecular weight of 236.71 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-imidazol-1-ylbutyl)pyridazine is sourced from PubChem (CID 86629217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).