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

C13H14N6O — CID 548996

IUPAC5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCNc1nc2nonc2nc1Nc1cc(C)ccc1C
InChIInChI=1S/C13H14N6O/c1-7-4-5-8(2)9(6-7)15-11-10(14-3)16-12-13(17-11)19-20-18-12/h4-6H,1-3H3,(H,14,16,18)(H,15,17,19)
InChIKeyKOFVYIXRIPFPOK-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.41
Rot. Bonds3

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

5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 548996) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID548996
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCNc1nc2nonc2nc1Nc1cc(C)ccc1C
InChIInChI=1S/C13H14N6O/c1-7-4-5-8(2)9(6-7)15-11-10(14-3)16-12-13(17-11)19-20-18-12/h4-6H,1-3H3,(H,14,16,18)(H,15,17,19)
InChIKeyKOFVYIXRIPFPOK-UHFFFAOYSA-N
XLogP2.41
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 548996) is 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CNc1nc2nonc2nc1Nc1cc(C)ccc1C.
What is the InChIKey of 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is KOFVYIXRIPFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-7-4-5-8(2)9(6-7)15-11-10(14-3)16-12-13(17-11)19-20-18-12/h4-6H,1-3H3,(H,14,16,18)(H,15,17,19).
What are the key properties of 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 270.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 548996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).