8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

C14H8N4 — CID 91174026

IUPAC8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCc1cccc2c3nc(C#N)c(C#N)[nH]c-3cc12
InChIInChI=1S/C14H8N4/c1-8-3-2-4-9-10(8)5-11-14(9)18-13(7-16)12(6-15)17-11/h2-5,17H,1H3
InChIKeyYNBGOZPVYSHKRE-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.72
Rot. Bonds

About 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 91174026) has the molecular formula C14H8N4 and a molecular weight of 232.25 g/mol. Its IUPAC name is 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID91174026
Molecular FormulaC14H8N4
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCc1cccc2c3nc(C#N)c(C#N)[nH]c-3cc12
InChIInChI=1S/C14H8N4/c1-8-3-2-4-9-10(8)5-11-14(9)18-13(7-16)12(6-15)17-11/h2-5,17H,1H3
InChIKeyYNBGOZPVYSHKRE-UHFFFAOYSA-N
XLogP2.72
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 91174026) is 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile is Cc1cccc2c3nc(C#N)c(C#N)[nH]c-3cc12.
What is the InChIKey of 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is YNBGOZPVYSHKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4/c1-8-3-2-4-9-10(8)5-11-14(9)18-13(7-16)12(6-15)17-11/h2-5,17H,1H3.
What are the key properties of 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 232.25 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 91174026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).