N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C17H20N6O — CID 6737945

IUPACN-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1C
InChIInChI=1S/C17H20N6O/c1-11-6-7-13(10-12(11)2)18-16-17(23-8-4-3-5-9-23)20-15-14(19-16)21-24-22-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyQXHFANWOIMBITI-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.36
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 6737945) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID6737945
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1C
InChIInChI=1S/C17H20N6O/c1-11-6-7-13(10-12(11)2)18-16-17(23-8-4-3-5-9-23)20-15-14(19-16)21-24-22-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyQXHFANWOIMBITI-UHFFFAOYSA-N
XLogP3.36
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 6737945) is N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Cc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is QXHFANWOIMBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-6-7-13(10-12(11)2)18-16-17(23-8-4-3-5-9-23)20-15-14(19-16)21-24-22-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 6737945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).