6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C28H12N8O2 — CID 69109670

IUPAC6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCc1ccc2c(c1)-c1nc(C#N)c(C#N)nc1C2=O.Cc1cccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2
InChIInChI=1S/2C14H6N4O/c1-7-2-3-8-9(4-7)12-13(14(8)19)18-11(6-16)10(5-15)17-12;1-7-3-2-4-8-11(7)14(19)13-12(8)17-9(5-15)10(6-16)18-13/h2*2-4H,1H3
InChIKeyGORSGHAVCDYLNF-UHFFFAOYSA-N
MW492.46 g/mol
LogP3.48
Rot. Bonds

About 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 69109670) has the molecular formula C28H12N8O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID69109670
Molecular FormulaC28H12N8O2
Molecular Weight492.46 g/mol
Exact Mass492.11
IUPAC Name6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCc1ccc2c(c1)-c1nc(C#N)c(C#N)nc1C2=O.Cc1cccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2
InChIInChI=1S/2C14H6N4O/c1-7-2-3-8-9(4-7)12-13(14(8)19)18-11(6-16)10(5-15)17-12;1-7-3-2-4-8-11(7)14(19)13-12(8)17-9(5-15)10(6-16)18-13/h2*2-4H,1H3
InChIKeyGORSGHAVCDYLNF-UHFFFAOYSA-N
XLogP3.48
TPSA180.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 69109670) is 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is Cc1ccc2c(c1)-c1nc(C#N)c(C#N)nc1C2=O.Cc1cccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2.
What is the InChIKey of 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is GORSGHAVCDYLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H6N4O/c1-7-2-3-8-9(4-7)12-13(14(8)19)18-11(6-16)10(5-15)17-12;1-7-3-2-4-8-11(7)14(19)13-12(8)17-9(5-15)10(6-16)18-13/h2*2-4H,1H3.
What are the key properties of 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 492.46 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;8-methyl-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 69109670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).