5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C36H37ClN12O2 — CID 160603125

IUPAC5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1C.Clc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1
InChIInChI=1S/C18H15ClN6O.C18H22N6O/c19-13-6-8-14(9-7-13)21-16-15(22-17-18(23-16)25-26-24-17)20-11-10-12-4-2-1-3-5-12;1-11-8-9-14(10-12(11)2)20-16-15(19-13-6-4-3-5-7-13)21-17-18(22-16)24-25-23-17/h1-9H,10-11H2,(H,20,22,24)(H,21,23,25);8-10,13H,3-7H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyRENNRKDTUFCPCA-UHFFFAOYSA-N
MW705.23 g/mol
LogP8.18
Rot. Bonds10

About 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 160603125) has the molecular formula C36H37ClN12O2 and a molecular weight of 705.23 g/mol. Its IUPAC name is 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID160603125
Molecular FormulaC36H37ClN12O2
Molecular Weight705.23 g/mol
Exact Mass704.29
IUPAC Name5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1C.Clc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1
InChIInChI=1S/C18H15ClN6O.C18H22N6O/c19-13-6-8-14(9-7-13)21-16-15(22-17-18(23-16)25-26-24-17)20-11-10-12-4-2-1-3-5-12;1-11-8-9-14(10-12(11)2)20-16-15(19-13-6-4-3-5-7-13)21-17-18(22-16)24-25-23-17/h1-9H,10-11H2,(H,20,22,24)(H,21,23,25);8-10,13H,3-7H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyRENNRKDTUFCPCA-UHFFFAOYSA-N
XLogP8.18
TPSA177.52 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.23
LogP ≤ 58.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-N'-(1-phenylethyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3560311
Furazano[3,4-b]pyrazine-5,6-diamine, N-cyclohexyl-N'-(3,4-dimethylphenyl)-
CID 543550
N5-(Adamantan-2-YL)-N6-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-B]pyrazine-5,6-diamine
CID 45106454
5-N-[2-fluoro-4-[3-fluoro-4-[[5-(2-fluoro-N-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]-methylamino]phenyl]phenyl]-6-N-(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482690
5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482711
5-N-(3,4-dimethylphenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1515638
N-(3,4-Dimethylphenyl)-6-(piperidin-1-YL)-[1,2,5]oxadiazolo[3,4-B]pyrazin-5-amine
CID 6737945
5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4095976
N-(4-chlorophenyl)-N'-(2,3-dimethylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1254944
N-2-adamantyl-N'-(4-chlorophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1354558
5-(3-Chloro-4-methylanilino)-6-(2,3-xylidino)furazano[3,4-b]pyrazine
CID 633278
5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 118505193

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 160603125) is 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1C.Clc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1.
What is the InChIKey of 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is RENNRKDTUFCPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O.C18H22N6O/c19-13-6-8-14(9-7-13)21-16-15(22-17-18(23-16)25-26-24-17)20-11-10-12-4-2-1-3-5-12;1-11-8-9-14(10-12(11)2)20-16-15(19-13-6-4-3-5-7-13)21-17-18(22-16)24-25-23-17/h1-9H,10-11H2,(H,20,22,24)(H,21,23,25);8-10,13H,3-7H2,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 705.23 g/mol, XLogP of 8.18, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 160603125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).