3-chloro-6-(2-ethylimidazol-1-yl)pyridazine

C9H9ClN4 — CID 12698873

IUPAC3-chloro-6-(2-ethylimidazol-1-yl)pyridazine
SMILESCCc1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClN4/c1-2-8-11-5-6-14(8)9-4-3-7(10)12-13-9/h3-6H,2H2,1H3
InChIKeyWXBVRDVTLYDCEC-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.88
Rot. Bonds2

About 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine

3-chloro-6-(2-ethylimidazol-1-yl)pyridazine (PubChem CID 12698873) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-ethylimidazol-1-yl)pyridazine
PubChem CID12698873
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name3-chloro-6-(2-ethylimidazol-1-yl)pyridazine
SMILESCCc1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C9H9ClN4/c1-2-8-11-5-6-14(8)9-4-3-7(10)12-13-9/h3-6H,2H2,1H3
InChIKeyWXBVRDVTLYDCEC-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine (CID 12698873) is 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine is CCc1nccn1-c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine?
The InChIKey is WXBVRDVTLYDCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-2-8-11-5-6-14(8)9-4-3-7(10)12-13-9/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine?
3-chloro-6-(2-ethylimidazol-1-yl)pyridazine has a molecular weight of 208.65 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-ethylimidazol-1-yl)pyridazine is sourced from PubChem (CID 12698873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).