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

C11H13N5O — CID 55228804

IUPAC5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCC1CNCC1c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H13N5O/c1-7-4-13-5-8(7)11-15-10(16-17-11)9-6-12-2-3-14-9/h2-3,6-8,13H,4-5H2,1H3
InChIKeyACERODLFLKXADO-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.85
Rot. Bonds2

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

5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 55228804) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID55228804
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCC1CNCC1c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H13N5O/c1-7-4-13-5-8(7)11-15-10(16-17-11)9-6-12-2-3-14-9/h2-3,6-8,13H,4-5H2,1H3
InChIKeyACERODLFLKXADO-UHFFFAOYSA-N
XLogP0.85
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 55228804) is 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole is CC1CNCC1c1nc(-c2cnccn2)no1.
What is the InChIKey of 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is ACERODLFLKXADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-4-13-5-8(7)11-15-10(16-17-11)9-6-12-2-3-14-9/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55228804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).