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

C14H14N4 — CID 86774706

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1CN1CCn2ccnc2C1
InChIInChI=1S/C14H14N4/c15-9-12-3-1-2-4-13(12)10-17-7-8-18-6-5-16-14(18)11-17/h1-6H,7-8,10-11H2
InChIKeyGHFZALBAUJLDKS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.77
Rot. Bonds2

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

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile (PubChem CID 86774706) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile
PubChem CID86774706
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1CN1CCn2ccnc2C1
InChIInChI=1S/C14H14N4/c15-9-12-3-1-2-4-13(12)10-17-7-8-18-6-5-16-14(18)11-17/h1-6H,7-8,10-11H2
InChIKeyGHFZALBAUJLDKS-UHFFFAOYSA-N
XLogP1.77
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile
CID 103912112
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methylpyridin-2-amine
CID 55145384
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 104557510
2-[(4-sulfanylpiperazin-1-yl)methyl]benzonitrile
CID 135177597
8-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)quinolin-5-amine
CID 63015654
2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile
CID 63025751
3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzoic acid
CID 102767640
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-5-methoxyphenol
CID 82980177
3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 63026444
7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55134729
7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 161306012

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile (CID 86774706) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile is N#Cc1ccccc1CN1CCn2ccnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile?
The InChIKey is GHFZALBAUJLDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-12-3-1-2-4-13(12)10-17-7-8-18-6-5-16-14(18)11-17/h1-6H,7-8,10-11H2.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile is sourced from PubChem (CID 86774706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).