1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

C10H12N4O2 — CID 63345918

IUPAC1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C10H12N4O2/c1-2-7(15)5-9-13-10(14-16-9)8-6-11-3-4-12-8/h3-4,6-7,15H,2,5H2,1H3
InChIKeyOWLFVCWTUKNSJX-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.84
Rot. Bonds4

About 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63345918) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63345918
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C10H12N4O2/c1-2-7(15)5-9-13-10(14-16-9)8-6-11-3-4-12-8/h3-4,6-7,15H,2,5H2,1H3
InChIKeyOWLFVCWTUKNSJX-UHFFFAOYSA-N
XLogP0.84
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63345918) is 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CCC(O)Cc1nc(-c2cnccn2)no1.
What is the InChIKey of 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is OWLFVCWTUKNSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-7(15)5-9-13-10(14-16-9)8-6-11-3-4-12-8/h3-4,6-7,15H,2,5H2,1H3.
What are the key properties of 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 220.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63345918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).