3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine

C9H9ClN4 — CID 106898071

IUPAC3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine
SMILESClCc1cncn1Cc1cccnn1
InChIInChI=1S/C9H9ClN4/c10-4-9-5-11-7-14(9)6-8-2-1-3-12-13-8/h1-3,5,7H,4,6H2
InChIKeyLVMUMQIQNSMESN-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.46
Rot. Bonds3

About 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine

3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine (PubChem CID 106898071) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine
PubChem CID106898071
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine
SMILESClCc1cncn1Cc1cccnn1
InChIInChI=1S/C9H9ClN4/c10-4-9-5-11-7-14(9)6-8-2-1-3-12-13-8/h1-3,5,7H,4,6H2
InChIKeyLVMUMQIQNSMESN-UHFFFAOYSA-N
XLogP1.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine?
The IUPAC name of 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine (CID 106898071) is 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine?
The canonical SMILES for 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine is ClCc1cncn1Cc1cccnn1.
What is the InChIKey of 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine?
The InChIKey is LVMUMQIQNSMESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-4-9-5-11-7-14(9)6-8-2-1-3-12-13-8/h1-3,5,7H,4,6H2.
What are the key properties of 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine?
3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine has a molecular weight of 208.65 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine is sourced from PubChem (CID 106898071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).