2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C14H20N6O — CID 91842389

IUPAC2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1cnc(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1
InChIInChI=1S/C14H20N6O/c1-10-8-15-11(2)14(16-10)20-6-4-19(5-7-20)9-13-18-17-12(3)21-13/h8H,4-7,9H2,1-3H3
InChIKeyJDVUZTAYCOFBEV-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.11
Rot. Bonds3

About 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 91842389) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID91842389
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1cnc(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1
InChIInChI=1S/C14H20N6O/c1-10-8-15-11(2)14(16-10)20-6-4-19(5-7-20)9-13-18-17-12(3)21-13/h8H,4-7,9H2,1-3H3
InChIKeyJDVUZTAYCOFBEV-UHFFFAOYSA-N
XLogP1.11
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 91842389) is 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1cnc(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1.
What is the InChIKey of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is JDVUZTAYCOFBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-8-15-11(2)14(16-10)20-6-4-19(5-7-20)9-13-18-17-12(3)21-13/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 288.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 91842389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).