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

C18H15ClN6O — CID 4095976

IUPAC5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESClc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1
InChIInChI=1S/C18H15ClN6O/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/h1-9H,10-11H2,(H,20,22,24)(H,21,23,25)
InChIKeyMWEJXMHTKRXQRZ-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.06
Rot. Bonds6

About 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[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 (PubChem CID 4095976) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 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.

Molecular Properties

Compound Name5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID4095976
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESClc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1
InChIInChI=1S/C18H15ClN6O/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/h1-9H,10-11H2,(H,20,22,24)(H,21,23,25)
InChIKeyMWEJXMHTKRXQRZ-UHFFFAOYSA-N
XLogP4.06
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 4095976) is 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[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?
The canonical SMILES for 5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is 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?
The InChIKey is MWEJXMHTKRXQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/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/h1-9H,10-11H2,(H,20,22,24)(H,21,23,25).
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?
5-N-(4-chlorophenyl)-6-N-(2-phenylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 366.81 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 4095976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).