3-chloro-6-ethyl-1,2-dihydropyridazine

C6H9ClN2 — CID 146392842

IUPAC3-chloro-6-ethyl-1,2-dihydropyridazine
SMILESCCC1=CC=C(Cl)NN1
InChIInChI=1S/C6H9ClN2/c1-2-5-3-4-6(7)9-8-5/h3-4,8-9H,2H2,1H3
InChIKeyLVBRLESJFFXOIR-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.47
Rot. Bonds1

About 3-chloro-6-ethyl-1,2-dihydropyridazine

3-chloro-6-ethyl-1,2-dihydropyridazine (PubChem CID 146392842) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 3-chloro-6-ethyl-1,2-dihydropyridazine.

Molecular Properties

Compound Name3-chloro-6-ethyl-1,2-dihydropyridazine
PubChem CID146392842
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name3-chloro-6-ethyl-1,2-dihydropyridazine
SMILESCCC1=CC=C(Cl)NN1
InChIInChI=1S/C6H9ClN2/c1-2-5-3-4-6(7)9-8-5/h3-4,8-9H,2H2,1H3
InChIKeyLVBRLESJFFXOIR-UHFFFAOYSA-N
XLogP1.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-1,2-dihydropyridazine?
The IUPAC name of 3-chloro-6-ethyl-1,2-dihydropyridazine (CID 146392842) is 3-chloro-6-ethyl-1,2-dihydropyridazine.
What is the SMILES notation for 3-chloro-6-ethyl-1,2-dihydropyridazine?
The canonical SMILES for 3-chloro-6-ethyl-1,2-dihydropyridazine is CCC1=CC=C(Cl)NN1.
What is the InChIKey of 3-chloro-6-ethyl-1,2-dihydropyridazine?
The InChIKey is LVBRLESJFFXOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-2-5-3-4-6(7)9-8-5/h3-4,8-9H,2H2,1H3.
What are the key properties of 3-chloro-6-ethyl-1,2-dihydropyridazine?
3-chloro-6-ethyl-1,2-dihydropyridazine has a molecular weight of 144.60 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-1,2-dihydropyridazine is sourced from PubChem (CID 146392842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).