3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile

C13H8N4O — CID 139721047

IUPAC3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2cn3ccnc3c(=O)[nH]2)c1
InChIInChI=1S/C13H8N4O/c14-7-9-2-1-3-10(6-9)11-8-17-5-4-15-12(17)13(18)16-11/h1-6,8H,(H,16,18)
InChIKeyNLSAVWNYUDNRIT-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.56
Rot. Bonds1

About 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile

3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile (PubChem CID 139721047) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile.

Molecular Properties

Compound Name3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile
PubChem CID139721047
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2cn3ccnc3c(=O)[nH]2)c1
InChIInChI=1S/C13H8N4O/c14-7-9-2-1-3-10(6-9)11-8-17-5-4-15-12(17)13(18)16-11/h1-6,8H,(H,16,18)
InChIKeyNLSAVWNYUDNRIT-UHFFFAOYSA-N
XLogP1.56
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile?
The IUPAC name of 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile (CID 139721047) is 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile.
What is the SMILES notation for 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile?
The canonical SMILES for 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile is N#Cc1cccc(-c2cn3ccnc3c(=O)[nH]2)c1.
What is the InChIKey of 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile?
The InChIKey is NLSAVWNYUDNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c14-7-9-2-1-3-10(6-9)11-8-17-5-4-15-12(17)13(18)16-11/h1-6,8H,(H,16,18).
What are the key properties of 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile?
3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile has a molecular weight of 236.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)benzonitrile is sourced from PubChem (CID 139721047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).