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

C18H15ClN6O — CID 1254944

IUPAC6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1cccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H15ClN6O/c1-10-4-3-5-14(11(10)2)21-16-15(20-13-8-6-12(19)7-9-13)22-17-18(23-16)25-26-24-17/h3-9H,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyXAEHPBMSHKTBNM-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.77
Rot. Bonds4

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

6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 1254944) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID1254944
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1cccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H15ClN6O/c1-10-4-3-5-14(11(10)2)21-16-15(20-13-8-6-12(19)7-9-13)22-17-18(23-16)25-26-24-17/h3-9H,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyXAEHPBMSHKTBNM-UHFFFAOYSA-N
XLogP4.77
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 1254944) is 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1cccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)c1C.
What is the InChIKey of 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is XAEHPBMSHKTBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-10-4-3-5-14(11(10)2)21-16-15(20-13-8-6-12(19)7-9-13)22-17-18(23-16)25-26-24-17/h3-9H,1-2H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 366.81 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorophenyl)-5-N-(2,3-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 1254944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).