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

C12H16N6O — CID 136541538

IUPAC3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CN(c3cnccn3)CCN2C)n1
InChIInChI=1S/C12H16N6O/c1-9-15-12(19-16-9)10-8-18(6-5-17(10)2)11-7-13-3-4-14-11/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyFYQDEMNQWMXWLP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.66
Rot. Bonds2

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

3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 136541538) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID136541538
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CN(c3cnccn3)CCN2C)n1
InChIInChI=1S/C12H16N6O/c1-9-15-12(19-16-9)10-8-18(6-5-17(10)2)11-7-13-3-4-14-11/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyFYQDEMNQWMXWLP-UHFFFAOYSA-N
XLogP0.66
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129482979
5-[(2S)-4-(3,5-dichloro-2-pyridinyl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129491457
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
CID 129482195
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
3,5-difluoro-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]benzonitrile
CID 128977795
3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
5-[(2S)-4-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485896
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128975147
5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 126810966
(3,5-difluoro-2-pyridinyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484206
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole (CID 136541538) is 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1noc(C2CN(c3cnccn3)CCN2C)n1.
What is the InChIKey of 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is FYQDEMNQWMXWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-15-12(19-16-9)10-8-18(6-5-17(10)2)11-7-13-3-4-14-11/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole?
3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 260.30 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136541538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).