3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine

C9H10Cl2N2 — CID 166999762

IUPAC3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine
SMILESCC[C@H]1C[C@@H]1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H10Cl2N2/c1-2-5-3-6(5)7-4-8(10)12-13-9(7)11/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyFQTKRIQOAHNXOJ-WDSKDSINSA-N
MW217.10 g/mol
LogP3.30
Rot. Bonds2

About 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine

3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine (PubChem CID 166999762) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine
PubChem CID166999762
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine
SMILESCC[C@H]1C[C@@H]1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H10Cl2N2/c1-2-5-3-6(5)7-4-8(10)12-13-9(7)11/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyFQTKRIQOAHNXOJ-WDSKDSINSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine (CID 166999762) is 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine is CC[C@H]1C[C@@H]1c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine?
The InChIKey is FQTKRIQOAHNXOJ-WDSKDSINSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-2-5-3-6(5)7-4-8(10)12-13-9(7)11/h4-6H,2-3H2,1H3/t5-,6-/m0/s1.
What are the key properties of 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine?
3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine has a molecular weight of 217.10 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine is sourced from PubChem (CID 166999762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).