5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole

C12H15N5O — CID 63025950

IUPAC5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(C3CCCNC3)no2)cn1
InChIInChI=1S/C12H15N5O/c1-8-5-15-10(7-14-8)12-16-11(17-18-12)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3
InChIKeyHFDWSXNERFDSFO-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.30
Rot. Bonds2

About 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole

5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63025950) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63025950
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(C3CCCNC3)no2)cn1
InChIInChI=1S/C12H15N5O/c1-8-5-15-10(7-14-8)12-16-11(17-18-12)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3
InChIKeyHFDWSXNERFDSFO-UHFFFAOYSA-N
XLogP1.30
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 114040481

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63025950) is 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is Cc1cnc(-c2nc(C3CCCNC3)no2)cn1.
What is the InChIKey of 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is HFDWSXNERFDSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-5-15-10(7-14-8)12-16-11(17-18-12)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3.
What are the key properties of 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 245.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63025950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).