1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

C13H6N4 — CID 90861504

IUPAC1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c3ccccc3cc-2[nH]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/h1-5,16H
InChIKeyQCMQSCXTZIOUAM-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.41
Rot. Bonds

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

1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 90861504) has the molecular formula C13H6N4 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID90861504
Molecular FormulaC13H6N4
Molecular Weight218.22 g/mol
Exact Mass218.06
IUPAC Name1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c3ccccc3cc-2[nH]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/h1-5,16H
InChIKeyQCMQSCXTZIOUAM-UHFFFAOYSA-N
XLogP2.41
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 90861504) is 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c3ccccc3cc-2[nH]c1C#N.
What is the InChIKey of 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is QCMQSCXTZIOUAM-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/h1-5,16H.
What are the key properties of 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 218.22 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 90861504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).