2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole

C11H13BrN4O — CID 104669994

IUPAC2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2cc(C)nnc2C)o1
InChIInChI=1S/C11H13BrN4O/c1-4-9(12)11-16-15-10(17-11)8-5-6(2)13-14-7(8)3/h5,9H,4H2,1-3H3
InChIKeyOUIQTTOTOSCWPR-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.99
Rot. Bonds3

About 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole

2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole (PubChem CID 104669994) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
PubChem CID104669994
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2cc(C)nnc2C)o1
InChIInChI=1S/C11H13BrN4O/c1-4-9(12)11-16-15-10(17-11)8-5-6(2)13-14-7(8)3/h5,9H,4H2,1-3H3
InChIKeyOUIQTTOTOSCWPR-UHFFFAOYSA-N
XLogP2.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole (CID 104669994) is 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole is CCC(Br)c1nnc(-c2cc(C)nnc2C)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole?
The InChIKey is OUIQTTOTOSCWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-4-9(12)11-16-15-10(17-11)8-5-6(2)13-14-7(8)3/h5,9H,4H2,1-3H3.
What are the key properties of 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole has a molecular weight of 297.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 104669994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).