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

C20H11N5O — CID 73230795

IUPAC9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccccc1C2=NOCc1ccccc1
InChIInChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2
InChIKeyGKOWDIBLCDZJHF-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.17
Rot. Bonds3

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

9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 73230795) has the molecular formula C20H11N5O and a molecular weight of 337.34 g/mol. Its IUPAC name is 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID73230795
Molecular FormulaC20H11N5O
Molecular Weight337.34 g/mol
Exact Mass337.10
IUPAC Name9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccccc1C2=NOCc1ccccc1
InChIInChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2
InChIKeyGKOWDIBLCDZJHF-UHFFFAOYSA-N
XLogP3.17
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.17
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'}

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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
5-(Dicyanomethylene)indeno[2,3-b]pyrazine-2,3-dicarbonitrile
CID 948444
(E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine
CID 155519391
(9E)-9-methoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 16065488
(9E)-9-(Phenylimino)-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 16065493
(9Z)-9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 17753266
(9Z)-9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 57831030
(9Z)-9-phenoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 57831034

Frequently Asked Questions

What is the IUPAC name of 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 73230795) is 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1ccccc1C2=NOCc1ccccc1.
What is the InChIKey of 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is GKOWDIBLCDZJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2.
What are the key properties of 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 337.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 73230795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).