9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile

C20H9N3O — CID 155549898

IUPAC9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile
SMILESN#Cc1nc2c(nc1C#Cc1ccccc1)-c1ccccc1C2=O
InChIInChI=1S/C20H9N3O/c21-12-17-16(11-10-13-6-2-1-3-7-13)22-18-14-8-4-5-9-15(14)20(24)19(18)23-17/h1-9H
InChIKeyXTBCKKSJNUJCHS-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.96
Rot. Bonds

About 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile

9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile (PubChem CID 155549898) has the molecular formula C20H9N3O and a molecular weight of 307.31 g/mol. Its IUPAC name is 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile
PubChem CID155549898
Molecular FormulaC20H9N3O
Molecular Weight307.31 g/mol
Exact Mass307.07
IUPAC Name9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile
SMILESN#Cc1nc2c(nc1C#Cc1ccccc1)-c1ccccc1C2=O
InChIInChI=1S/C20H9N3O/c21-12-17-16(11-10-13-6-2-1-3-7-13)22-18-14-8-4-5-9-15(14)20(24)19(18)23-17/h1-9H
InChIKeyXTBCKKSJNUJCHS-UHFFFAOYSA-N
XLogP2.96
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate
CID 67059693
6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 70987446
7-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 70987426
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide
CID 159982210
13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one;dihydrate
CID 18527941
2-phenyl-3-(2-phenylethynyl)naphthalene-1,4-dione
CID 11588034
3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile
CID 70987443
9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 73230794
7-fluoroindeno[1,2-b]quinoxalin-11-one
CID 122192565
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955

Frequently Asked Questions

What is the IUPAC name of 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile?
The IUPAC name of 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile (CID 155549898) is 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile.
What is the SMILES notation for 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile?
The canonical SMILES for 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile is N#Cc1nc2c(nc1C#Cc1ccccc1)-c1ccccc1C2=O.
What is the InChIKey of 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile?
The InChIKey is XTBCKKSJNUJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9N3O/c21-12-17-16(11-10-13-6-2-1-3-7-13)22-18-14-8-4-5-9-15(14)20(24)19(18)23-17/h1-9H.
What are the key properties of 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile?
9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile has a molecular weight of 307.31 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile is sourced from PubChem (CID 155549898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).