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

C8H7ClN4O — CID 104672201

IUPAC3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(Cl)no2)c(C)nn1
InChIInChI=1S/C8H7ClN4O/c1-4-3-6(5(2)12-11-4)7-10-8(9)13-14-7/h3H,1-2H3
InChIKeyHZJONSXVCFVTQG-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.80
Rot. Bonds1

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

3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole (PubChem CID 104672201) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole
PubChem CID104672201
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(Cl)no2)c(C)nn1
InChIInChI=1S/C8H7ClN4O/c1-4-3-6(5(2)12-11-4)7-10-8(9)13-14-7/h3H,1-2H3
InChIKeyHZJONSXVCFVTQG-UHFFFAOYSA-N
XLogP1.80
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096362
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150
3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 130821686
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 107099625
3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 112572126
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112571847
2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669994
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
CID 104673131
3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole (CID 104672201) is 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(Cl)no2)c(C)nn1.
What is the InChIKey of 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole?
The InChIKey is HZJONSXVCFVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c1-4-3-6(5(2)12-11-4)7-10-8(9)13-14-7/h3H,1-2H3.
What are the key properties of 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole?
3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole has a molecular weight of 210.62 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104672201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).