3-(azetidin-1-yl)-6-(chloromethyl)pyridazine

C8H10ClN3 — CID 130548160

IUPAC3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
SMILESClCc1ccc(N2CCC2)nn1
InChIInChI=1S/C8H10ClN3/c9-6-7-2-3-8(11-10-7)12-4-1-5-12/h2-3H,1,4-6H2
InChIKeyGJEWFPLIZRZMJP-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.43
Rot. Bonds2

About 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine

3-(azetidin-1-yl)-6-(chloromethyl)pyridazine (PubChem CID 130548160) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
PubChem CID130548160
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
SMILESClCc1ccc(N2CCC2)nn1
InChIInChI=1S/C8H10ClN3/c9-6-7-2-3-8(11-10-7)12-4-1-5-12/h2-3H,1,4-6H2
InChIKeyGJEWFPLIZRZMJP-UHFFFAOYSA-N
XLogP1.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(chloromethyl)pyridazin-3-yl]-4-methyl-1,4-diazepane
CID 61255108
4-[6-(chloromethyl)pyridazin-3-yl]-1,4-thiazepane
CID 61419469
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
CID 82036401
3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
CID 61445366
3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
CID 61421837
3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine
CID 63634840
2-[4-[6-(chloromethyl)pyridazin-3-yl]piperazin-1-yl]-1,3-thiazole
CID 61256786
3-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridazine
CID 61257627
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165035
4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
CID 61257804
4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
CID 61255944

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine?
The IUPAC name of 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine (CID 130548160) is 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine.
What is the SMILES notation for 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine?
The canonical SMILES for 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine is ClCc1ccc(N2CCC2)nn1.
What is the InChIKey of 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine?
The InChIKey is GJEWFPLIZRZMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c9-6-7-2-3-8(11-10-7)12-4-1-5-12/h2-3H,1,4-6H2.
What are the key properties of 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine?
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine has a molecular weight of 183.64 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-6-(chloromethyl)pyridazine is sourced from PubChem (CID 130548160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).