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

C18H22N6O — CID 543550

IUPAC6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1C
InChIInChI=1S/C18H22N6O/c1-11-8-9-14(10-12(11)2)20-16-15(19-13-6-4-3-5-7-13)21-17-18(22-16)24-25-23-17/h8-10,13H,3-7H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyNUGAYIMUBCLHFL-UHFFFAOYSA-N
MW338.42 g/mol
LogP4.12
Rot. Bonds4

About 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[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 543550) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID543550
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1C
InChIInChI=1S/C18H22N6O/c1-11-8-9-14(10-12(11)2)20-16-15(19-13-6-4-3-5-7-13)21-17-18(22-16)24-25-23-17/h8-10,13H,3-7H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyNUGAYIMUBCLHFL-UHFFFAOYSA-N
XLogP4.12
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 543550) is 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 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2NC2CCCCC2)cc1C.
What is the InChIKey of 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is NUGAYIMUBCLHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-8-9-14(10-12(11)2)20-16-15(19-13-6-4-3-5-7-13)21-17-18(22-16)24-25-23-17/h8-10,13H,3-7H2,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[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 338.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 543550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).