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

C7H5ClN4O — CID 130821686

IUPAC3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(Cl)no2)nn1
InChIInChI=1S/C7H5ClN4O/c1-4-2-3-5(11-10-4)6-9-7(8)12-13-6/h2-3H,1H3
InChIKeyMGHSZYYGVXDWKU-UHFFFAOYSA-N
MW196.60 g/mol
LogP1.49
Rot. Bonds1

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

3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 130821686) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID130821686
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(Cl)no2)nn1
InChIInChI=1S/C7H5ClN4O/c1-4-2-3-5(11-10-4)6-9-7(8)12-13-6/h2-3H,1H3
InChIKeyMGHSZYYGVXDWKU-UHFFFAOYSA-N
XLogP1.49
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole
CID 104672201
3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 112571871
3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 128883285
3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 107099625
3-chloro-5-(2H-triazol-4-yl)-1,2,4-oxadiazole
CID 112571918
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72902534
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 130821686) is 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(Cl)no2)nn1.
What is the InChIKey of 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MGHSZYYGVXDWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c1-4-2-3-5(11-10-4)6-9-7(8)12-13-6/h2-3H,1H3.
What are the key properties of 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 196.60 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130821686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).