3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C12H16N6O — CID 18168055

IUPAC3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C12H16N6O/c1-10-15-12(19-16-10)9-17-4-6-18(7-5-17)11-8-13-2-3-14-11/h2-3,8H,4-7,9H2,1H3
InChIKeySPIUNOFAUXWYFX-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.49
Rot. Bonds3

About 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 18168055) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID18168055
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C12H16N6O/c1-10-15-12(19-16-10)9-17-4-6-18(7-5-17)11-8-13-2-3-14-11/h2-3,8H,4-7,9H2,1H3
InChIKeySPIUNOFAUXWYFX-UHFFFAOYSA-N
XLogP0.49
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 60503705
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
3-(phenoxymethyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 29026870
5-[[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 75380996
3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
CID 136541538
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 18167942
5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 139027734
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 18168055) is 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is Cc1noc(CN2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is SPIUNOFAUXWYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-10-15-12(19-16-10)9-17-4-6-18(7-5-17)11-8-13-2-3-14-11/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 260.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 18168055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).