4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile

C15H16N4O — CID 63013773

IUPAC4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CN2CCn3ccnc3C2)cc1
InChIInChI=1S/C15H16N4O/c16-9-12-1-3-13(4-2-12)14(20)10-18-7-8-19-6-5-17-15(19)11-18/h1-6,14,20H,7-8,10-11H2
InChIKeyQBIYGEWUBMTNNN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.30
Rot. Bonds3

About 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile

4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile (PubChem CID 63013773) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile
PubChem CID63013773
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CN2CCn3ccnc3C2)cc1
InChIInChI=1S/C15H16N4O/c16-9-12-1-3-13(4-2-12)14(20)10-18-7-8-19-6-5-17-15(19)11-18/h1-6,14,20H,7-8,10-11H2
InChIKeyQBIYGEWUBMTNNN-UHFFFAOYSA-N
XLogP1.30
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-methoxyphenyl)ethanol
CID 62407126
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanol
CID 63026968
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
1-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 63024740
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanenitrile
CID 63025616
1-cyclohexyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 104752839
2-methylbutane;7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160938610
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile
CID 86774706
7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 65015071
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997149
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile
CID 103912112
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63026239

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile (CID 63013773) is 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)CN2CCn3ccnc3C2)cc1.
What is the InChIKey of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile?
The InChIKey is QBIYGEWUBMTNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-9-12-1-3-13(4-2-12)14(20)10-18-7-8-19-6-5-17-15(19)11-18/h1-6,14,20H,7-8,10-11H2.
What are the key properties of 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile?
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 63013773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).