5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine

C12H16N6O — CID 97208898

IUPAC5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H]2CCCN(c3cnccn3)C2)o1
InChIInChI=1S/C12H16N6O/c1-9-16-17-12(19-9)15-10-3-2-6-18(8-10)11-7-13-4-5-14-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyOBSWGSXSSTXDQC-JTQLQIEISA-N
MW260.30 g/mol
LogP1.25
Rot. Bonds3

About 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine

5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 97208898) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine
PubChem CID97208898
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H]2CCCN(c3cnccn3)C2)o1
InChIInChI=1S/C12H16N6O/c1-9-16-17-12(19-9)15-10-3-2-6-18(8-10)11-7-13-4-5-14-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyOBSWGSXSSTXDQC-JTQLQIEISA-N
XLogP1.25
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine (CID 97208898) is 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine is Cc1nnc(N[C@H]2CCCN(c3cnccn3)C2)o1.
What is the InChIKey of 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OBSWGSXSSTXDQC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-16-17-12(19-9)15-10-3-2-6-18(8-10)11-7-13-4-5-14-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine?
5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97208898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).