3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine

C13H12N2O — CID 167503115

IUPAC3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine
SMILESCc1ccc2c(c1)COc1nc(C)cnc1-2
InChIInChI=1S/C13H12N2O/c1-8-3-4-11-10(5-8)7-16-13-12(11)14-6-9(2)15-13/h3-6H,7H2,1-2H3
InChIKeyFMDOEUVSXHEJSU-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.65
Rot. Bonds

About 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine

3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine (PubChem CID 167503115) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine.

Molecular Properties

Compound Name3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine
PubChem CID167503115
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine
SMILESCc1ccc2c(c1)COc1nc(C)cnc1-2
InChIInChI=1S/C13H12N2O/c1-8-3-4-11-10(5-8)7-16-13-12(11)14-6-9(2)15-13/h3-6H,7H2,1-2H3
InChIKeyFMDOEUVSXHEJSU-UHFFFAOYSA-N
XLogP2.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine?
The IUPAC name of 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine (CID 167503115) is 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine.
What is the SMILES notation for 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine?
The canonical SMILES for 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine is Cc1ccc2c(c1)COc1nc(C)cnc1-2.
What is the InChIKey of 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine?
The InChIKey is FMDOEUVSXHEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-3-4-11-10(5-8)7-16-13-12(11)14-6-9(2)15-13/h3-6H,7H2,1-2H3.
What are the key properties of 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine?
3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine has a molecular weight of 212.25 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6H-isochromeno[3,4-b]pyrazine is sourced from PubChem (CID 167503115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).