3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine

C12H13ClN4 — CID 178145532

IUPAC3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine
SMILESCCc1cn(-c2ccc(Cl)nn2)c(C2CC2)n1
InChIInChI=1S/C12H13ClN4/c1-2-9-7-17(12(14-9)8-3-4-8)11-6-5-10(13)15-16-11/h5-8H,2-4H2,1H3
InChIKeyYZQHHYYLKWRGKR-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.76
Rot. Bonds3

About 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine

3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine (PubChem CID 178145532) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine
PubChem CID178145532
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine
SMILESCCc1cn(-c2ccc(Cl)nn2)c(C2CC2)n1
InChIInChI=1S/C12H13ClN4/c1-2-9-7-17(12(14-9)8-3-4-8)11-6-5-10(13)15-16-11/h5-8H,2-4H2,1H3
InChIKeyYZQHHYYLKWRGKR-UHFFFAOYSA-N
XLogP2.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.76
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-cyclopropyl-4-ethylimidazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine (CID 178145532) is 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine is CCc1cn(-c2ccc(Cl)nn2)c(C2CC2)n1.
What is the InChIKey of 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine?
The InChIKey is YZQHHYYLKWRGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-2-9-7-17(12(14-9)8-3-4-8)11-6-5-10(13)15-16-11/h5-8H,2-4H2,1H3.
What are the key properties of 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine?
3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine has a molecular weight of 248.72 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-cyclopropyl-4-ethylimidazol-1-yl)pyridazine is sourced from PubChem (CID 178145532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).