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

C10H11ClN4O — CID 104669980

IUPAC2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nnc(CCl)o1
InChIInChI=1S/C10H11ClN4O/c1-3-8-7(4-6(2)12-13-8)10-15-14-9(5-11)16-10/h4H,3,5H2,1-2H3
InChIKeyGXLWAHLTFPYIAZ-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.14
Rot. Bonds3

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

2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole (PubChem CID 104669980) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
PubChem CID104669980
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nnc(CCl)o1
InChIInChI=1S/C10H11ClN4O/c1-3-8-7(4-6(2)12-13-8)10-15-14-9(5-11)16-10/h4H,3,5H2,1-2H3
InChIKeyGXLWAHLTFPYIAZ-UHFFFAOYSA-N
XLogP2.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.14
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 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole (CID 104669980) is 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole is CCc1nnc(C)cc1-c1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
The InChIKey is GXLWAHLTFPYIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-3-8-7(4-6(2)12-13-8)10-15-14-9(5-11)16-10/h4H,3,5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole has a molecular weight of 238.68 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 104669980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).