5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

C13H17ClN6O — CID 133281442

IUPAC5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCN(c3cncc(Cl)n3)CC2)n1
InChIInChI=1S/C13H17ClN6O/c1-9(13-16-10(2)18-21-13)19-3-5-20(6-4-19)12-8-15-7-11(14)17-12/h7-9H,3-6H2,1-2H3
InChIKeyCDLQRARPLWAWSY-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.70
Rot. Bonds3

About 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 133281442) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID133281442
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCN(c3cncc(Cl)n3)CC2)n1
InChIInChI=1S/C13H17ClN6O/c1-9(13-16-10(2)18-21-13)19-3-5-20(6-4-19)12-8-15-7-11(14)17-12/h7-9H,3-6H2,1-2H3
InChIKeyCDLQRARPLWAWSY-UHFFFAOYSA-N
XLogP1.70
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95587278
2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 61362795
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37139535
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36643556
5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 133311377
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329
3-propan-2-yl-5-[1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 43061960
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
2-methyl-5-[(1S)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276718
2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276720
5-[1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 133281461

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 133281442) is 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C(C)N2CCN(c3cncc(Cl)n3)CC2)n1.
What is the InChIKey of 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CDLQRARPLWAWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-9(13-16-10(2)18-21-13)19-3-5-20(6-4-19)12-8-15-7-11(14)17-12/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 308.77 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133281442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).