3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole

C7H5ClN4O — CID 12848155

IUPAC3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2nccnc2Cl)no1
InChIInChI=1S/C7H5ClN4O/c1-4-11-7(12-13-4)5-6(8)10-3-2-9-5/h2-3H,1H3
InChIKeyWFOKVAOPGBIBLP-UHFFFAOYSA-N
MW196.60 g/mol
LogP1.49
Rot. Bonds1

About 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole

3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole (PubChem CID 12848155) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole
PubChem CID12848155
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2nccnc2Cl)no1
InChIInChI=1S/C7H5ClN4O/c1-4-11-7(12-13-4)5-6(8)10-3-2-9-5/h2-3H,1H3
InChIKeyWFOKVAOPGBIBLP-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-Pyrazinyl-1,2,4-oxadiazole
CID 3062315
3-(2-Pyrazinyl)-1,2,4-oxadiazole-5-ethanamine hydrochloride (1:1)
CID 46737066
3-(Pyrazin-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 49670417
3-Pyrazin-2-yl-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 89585093
2-Chloro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazine
CID 122240435
5-Methyl-3-(pyrazin-2-yl)-1,2,4-oxadiazole
CID 13715707
2-(5-Chloromethyl-[1,2,4]oxadiazol-3-YL)-pyrazine
CID 13715711
5-Ethyl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 21560762
(3-(Pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)methanamine
CID 43807287
5-Tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 59019222
3-(5-Methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole
CID 59260120
5-Methyl-3-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 59809298

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole (CID 12848155) is 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2nccnc2Cl)no1.
What is the InChIKey of 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is WFOKVAOPGBIBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c1-4-11-7(12-13-4)5-6(8)10-3-2-9-5/h2-3H,1H3.
What are the key properties of 3-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole?
3-(3-chloropyrazin-2-yl)-5-methyl-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-(3-chloropyrazin-2-yl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 12848155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).