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

C15H22N6O — CID 133471524

IUPAC3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(c3nc(C)cnc3C)CC2)no1
InChIInChI=1S/C15H22N6O/c1-4-14-18-13(19-22-14)10-20-5-7-21(8-6-20)15-12(3)16-9-11(2)17-15/h9H,4-8,10H2,1-3H3
InChIKeyGCSYBWKUXVRNJX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.36
Rot. Bonds4

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

3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 133471524) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID133471524
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCN(c3nc(C)cnc3C)CC2)no1
InChIInChI=1S/C15H22N6O/c1-4-14-18-13(19-22-14)10-20-5-7-21(8-6-20)15-12(3)16-9-11(2)17-15/h9H,4-8,10H2,1-3H3
InChIKeyGCSYBWKUXVRNJX-UHFFFAOYSA-N
XLogP1.36
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole (CID 133471524) is 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(CN2CCN(c3nc(C)cnc3C)CC2)no1.
What is the InChIKey of 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is GCSYBWKUXVRNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-4-14-18-13(19-22-14)10-20-5-7-21(8-6-20)15-12(3)16-9-11(2)17-15/h9H,4-8,10H2,1-3H3.
What are the key properties of 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 133471524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).