9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C15H9N5O — CID 73230796

IUPAC9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCCON=C1c2ccccc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3
InChIKeyVKVAJBRQGBRHIK-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.99
Rot. Bonds2

About 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 73230796) has the molecular formula C15H9N5O and a molecular weight of 275.27 g/mol. Its IUPAC name is 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID73230796
Molecular FormulaC15H9N5O
Molecular Weight275.27 g/mol
Exact Mass275.08
IUPAC Name9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESCCON=C1c2ccccc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3
InChIKeyVKVAJBRQGBRHIK-UHFFFAOYSA-N
XLogP1.99
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 155523332
5-(Dicyanomethylene)indeno[2,3-b]pyrazine-2,3-dicarbonitrile
CID 948444
8,9-Dicyanoacenaphtho(1,2-b)pyrazine
CID 620235
9-Phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 73230795
(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-7,17-difluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile
CID 58012965
(9E)-9-[cyano(isocyano)methylidene]-6-(4-fluorophenyl)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 59194448
7-fluoro-8-methyl-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 67059677
9-[Cyano(isocyano)methylidene]-6-(4-fluorophenyl)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 72540001

Frequently Asked Questions

What is the IUPAC name of 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 73230796) is 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is CCON=C1c2ccccc2-c2nc(C#N)c(C#N)nc21.
What is the InChIKey of 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is VKVAJBRQGBRHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3.
What are the key properties of 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 275.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 73230796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).