6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C20H22N6O3 — CID 162482016

IUPAC6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCC1(N)CCC(c2nc(N)c(-c3cccc4c3OCO4)nc2-c2nnco2)CC1
InChIInChI=1S/C20H22N6O3/c1-20(22)7-5-11(6-8-20)14-16(19-26-23-9-27-19)24-15(18(21)25-14)12-3-2-4-13-17(12)29-10-28-13/h2-4,9,11H,5-8,10,22H2,1H3,(H2,21,25)
InChIKeyBMEPRCFHTNRRAT-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.88
Rot. Bonds3

About 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine

6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 162482016) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
PubChem CID162482016
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine
SMILESCC1(N)CCC(c2nc(N)c(-c3cccc4c3OCO4)nc2-c2nnco2)CC1
InChIInChI=1S/C20H22N6O3/c1-20(22)7-5-11(6-8-20)14-16(19-26-23-9-27-19)24-15(18(21)25-14)12-3-2-4-13-17(12)29-10-28-13/h2-4,9,11H,5-8,10,22H2,1H3,(H2,21,25)
InChIKeyBMEPRCFHTNRRAT-UHFFFAOYSA-N
XLogP2.88
TPSA135.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 162482016) is 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine is CC1(N)CCC(c2nc(N)c(-c3cccc4c3OCO4)nc2-c2nnco2)CC1.
What is the InChIKey of 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
The InChIKey is BMEPRCFHTNRRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-20(22)7-5-11(6-8-20)14-16(19-26-23-9-27-19)24-15(18(21)25-14)12-3-2-4-13-17(12)29-10-28-13/h2-4,9,11H,5-8,10,22H2,1H3,(H2,21,25).
What are the key properties of 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine?
6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 394.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylcyclohexyl)-3-(1,3-benzodioxol-4-yl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 162482016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).