3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole

C12H15ClN4O — CID 103095559

IUPAC3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nc(C(Cl)CC)no1
InChIInChI=1S/C12H15ClN4O/c1-4-9(13)11-14-12(18-17-11)8-6-7(3)15-16-10(8)5-2/h6,9H,4-5H2,1-3H3
InChIKeyVCTVIWRZROTHQH-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.09
Rot. Bonds4

About 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole

3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole (PubChem CID 103095559) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole
PubChem CID103095559
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nc(C(Cl)CC)no1
InChIInChI=1S/C12H15ClN4O/c1-4-9(13)11-14-12(18-17-11)8-6-7(3)15-16-10(8)5-2/h6,9H,4-5H2,1-3H3
InChIKeyVCTVIWRZROTHQH-UHFFFAOYSA-N
XLogP3.09
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole (CID 103095559) is 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole is CCc1nnc(C)cc1-c1nc(C(Cl)CC)no1.
What is the InChIKey of 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
The InChIKey is VCTVIWRZROTHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-4-9(13)11-14-12(18-17-11)8-6-7(3)15-16-10(8)5-2/h6,9H,4-5H2,1-3H3.
What are the key properties of 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole has a molecular weight of 266.73 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).