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

C13H13ClN6O — CID 762194

IUPAC6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2N(C)C)cc1Cl
InChIInChI=1S/C13H13ClN6O/c1-7-4-5-8(6-9(7)14)15-12-13(20(2)3)17-11-10(16-12)18-21-19-11/h4-6H,1-3H3,(H,15,16,18)
InChIKeyYATQYVOQLUBZLZ-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.78
Rot. Bonds3

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

6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 762194) has the molecular formula C13H13ClN6O and a molecular weight of 304.74 g/mol. Its IUPAC name is 6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID762194
Molecular FormulaC13H13ClN6O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC Name6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2N(C)C)cc1Cl
InChIInChI=1S/C13H13ClN6O/c1-7-4-5-8(6-9(7)14)15-12-13(20(2)3)17-11-10(16-12)18-21-19-11/h4-6H,1-3H3,(H,15,16,18)
InChIKeyYATQYVOQLUBZLZ-UHFFFAOYSA-N
XLogP2.78
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 762194) is 6-N-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2N(C)C)cc1Cl.
What is the InChIKey of 6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is YATQYVOQLUBZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O/c1-7-4-5-8(6-9(7)14)15-12-13(20(2)3)17-11-10(16-12)18-21-19-11/h4-6H,1-3H3,(H,15,16,18).
What are the key properties of 6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 304.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-methylphenyl)-5-N,5-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 762194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).