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

C12H11ClN6O — CID 671767

IUPAC6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN6O/c1-19(2)12-11(14-8-5-3-4-7(13)6-8)15-9-10(16-12)18-20-17-9/h3-6H,1-2H3,(H,14,15,17)
InChIKeyIGQORJGNXKLRGT-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.48
Rot. Bonds3

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

6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 671767) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID671767
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN6O/c1-19(2)12-11(14-8-5-3-4-7(13)6-8)15-9-10(16-12)18-20-17-9/h3-6H,1-2H3,(H,14,15,17)
InChIKeyIGQORJGNXKLRGT-UHFFFAOYSA-N
XLogP2.48
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 671767) is 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CN(C)c1nc2nonc2nc1Nc1cccc(Cl)c1.
What is the InChIKey of 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is IGQORJGNXKLRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c1-19(2)12-11(14-8-5-3-4-7(13)6-8)15-9-10(16-12)18-20-17-9/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 290.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 671767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).