4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

C13H6N4 — CID 134368156

IUPAC4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#CC1=NC2=Cc3ccccc3C2N=C1C#N
InChIInChI=1S/C13H6N4/c14-6-11-12(7-15)17-13-9-4-2-1-3-8(9)5-10(13)16-11/h1-5,13H
InChIKeyWRMRVMVHRHJVQJ-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.02
Rot. Bonds

About 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 134368156) has the molecular formula C13H6N4 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID134368156
Molecular FormulaC13H6N4
Molecular Weight218.22 g/mol
Exact Mass218.06
IUPAC Name4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#CC1=NC2=Cc3ccccc3C2N=C1C#N
InChIInChI=1S/C13H6N4/c14-6-11-12(7-15)17-13-9-4-2-1-3-8(9)5-10(13)16-11/h1-5,13H
InChIKeyWRMRVMVHRHJVQJ-UHFFFAOYSA-N
XLogP2.02
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 134368156) is 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#CC1=NC2=Cc3ccccc3C2N=C1C#N.
What is the InChIKey of 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is WRMRVMVHRHJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N4/c14-6-11-12(7-15)17-13-9-4-2-1-3-8(9)5-10(13)16-11/h1-5,13H.
What are the key properties of 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 218.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-indeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 134368156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).