5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

C12H13N7O2 — CID 166337386

IUPAC5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2CCCN(c3cncc4ncnn34)C2)o1
InChIInChI=1S/C12H13N7O2/c20-12-17-16-11(21-12)8-2-1-3-18(6-8)10-5-13-4-9-14-7-15-19(9)10/h4-5,7-8H,1-3,6H2,(H,17,20)
InChIKeyORNFHQHDCKKPAK-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.18
Rot. Bonds2

About 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166337386) has the molecular formula C12H13N7O2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166337386
Molecular FormulaC12H13N7O2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2CCCN(c3cncc4ncnn34)C2)o1
InChIInChI=1S/C12H13N7O2/c20-12-17-16-11(21-12)8-2-1-3-18(6-8)10-5-13-4-9-14-7-15-19(9)10/h4-5,7-8H,1-3,6H2,(H,17,20)
InChIKeyORNFHQHDCKKPAK-UHFFFAOYSA-N
XLogP0.18
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 166337386) is 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(C2CCCN(c3cncc4ncnn34)C2)o1.
What is the InChIKey of 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ORNFHQHDCKKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O2/c20-12-17-16-11(21-12)8-2-1-3-18(6-8)10-5-13-4-9-14-7-15-19(9)10/h4-5,7-8H,1-3,6H2,(H,17,20).
What are the key properties of 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 287.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).