9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile

C16H4N6 — CID 948444

IUPAC9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#CC(C#N)=C1c2ccccc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C16H4N6/c17-5-9(6-18)14-10-3-1-2-4-11(10)15-16(14)22-13(8-20)12(7-19)21-15/h1-4H
InChIKeyVIQMVMWFDHETIL-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.05
Rot. Bonds

About 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile

9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 948444) has the molecular formula C16H4N6 and a molecular weight of 280.25 g/mol. Its IUPAC name is 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID948444
Molecular FormulaC16H4N6
Molecular Weight280.25 g/mol
Exact Mass280.05
IUPAC Name9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#CC(C#N)=C1c2ccccc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C16H4N6/c17-5-9(6-18)14-10-3-1-2-4-11(10)15-16(14)22-13(8-20)12(7-19)21-15/h1-4H
InChIKeyVIQMVMWFDHETIL-UHFFFAOYSA-N
XLogP2.05
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

DUBs-IN-2
CID 16065491
DUBs-IN-3
CID 16065489
DUBs-IN-1
CID 16065490
(9Z)-9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 57831016
9-Ethyloxyimino-9h-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 73230796
2,3-Dicyano-5-methyl-6-phenylpyrazine
CID 142908
2,3-Dicyano-5,6-diphenylpyrazine
CID 299949
9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 155523332
8,9-Dicyanoacenaphtho(1,2-b)pyrazine
CID 620235
9-Phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 73230795
9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-(2,3-dihydro-2-oxo-1H-inden-1-ylidene)-
CID 5379281
2,12-Diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 11032495

Frequently Asked Questions

What is the IUPAC name of 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 948444) is 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#CC(C#N)=C1c2ccccc2-c2nc(C#N)c(C#N)nc21.
What is the InChIKey of 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is VIQMVMWFDHETIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H4N6/c17-5-9(6-18)14-10-3-1-2-4-11(10)15-16(14)22-13(8-20)12(7-19)21-15/h1-4H.
What are the key properties of 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 280.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dicyanomethylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 948444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).