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

C14H16N6O — CID 71974128

IUPAC3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CCc1nc(-c2cnccn2)no1
InChIInChI=1S/C14H16N6O/c1-9-11(10(2)20(3)18-9)4-5-13-17-14(19-21-13)12-8-15-6-7-16-12/h6-8H,4-5H2,1-3H3
InChIKeyNFABJEXXFFUNSC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.66
Rot. Bonds4

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

3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 71974128) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
PubChem CID71974128
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CCc1nc(-c2cnccn2)no1
InChIInChI=1S/C14H16N6O/c1-9-11(10(2)20(3)18-9)4-5-13-17-14(19-21-13)12-8-15-6-7-16-12/h6-8H,4-5H2,1-3H3
InChIKeyNFABJEXXFFUNSC-UHFFFAOYSA-N
XLogP1.66
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 132606149
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
3-pyrazin-2-yl-5-[[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99994497
5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859081
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 167843401
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80655454
3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 72933378
3-[(3-methylimidazol-4-yl)methyl]-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazole
CID 127870604
[1-pyrazin-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105308736
3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120960686

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole (CID 71974128) is 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1CCc1nc(-c2cnccn2)no1.
What is the InChIKey of 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is NFABJEXXFFUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-11(10(2)20(3)18-9)4-5-13-17-14(19-21-13)12-8-15-6-7-16-12/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole?
3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 1.66, 4 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-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71974128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).