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

C12H12N6O — CID 132606149

IUPAC3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1nc(-c2cnccn2)no1
InChIInChI=1S/C12H12N6O/c1-7-10(8(2)18(3)16-7)12-15-11(17-19-12)9-6-13-4-5-14-9/h4-6H,1-3H3
InChIKeyQEUZXZRUIXXYBO-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.54
Rot. Bonds2

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

3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 132606149) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID132606149
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1nc(-c2cnccn2)no1
InChIInChI=1S/C12H12N6O/c1-7-10(8(2)18(3)16-7)12-15-11(17-19-12)9-6-13-4-5-14-9/h4-6H,1-3H3
InChIKeyQEUZXZRUIXXYBO-UHFFFAOYSA-N
XLogP1.54
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 71974128
4-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525200
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 112571923
3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525333
5-(5-ethyl-1,3-oxazol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 100642458
3-pyrazin-2-yl-5-[[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99994497
3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 166214147
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 46361414
1-amino-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 43807265
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 103832881

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole (CID 132606149) is 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole is Cc1nn(C)c(C)c1-c1nc(-c2cnccn2)no1.
What is the InChIKey of 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is QEUZXZRUIXXYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7-10(8(2)18(3)16-7)12-15-11(17-19-12)9-6-13-4-5-14-9/h4-6H,1-3H3.
What are the key properties of 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 256.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 132606149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).