3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile

C15H12BrN5 — CID 79165705

IUPAC3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C15H12BrN5/c16-14-10-21-13(8-20-15(21)9-19-14)7-18-6-12-3-1-2-11(4-12)5-17/h1-4,8-10,18H,6-7H2
InChIKeyOWUPEOHOBKPMGD-UHFFFAOYSA-N
MW342.20 g/mol
LogP2.65
Rot. Bonds4

About 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile

3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile (PubChem CID 79165705) has the molecular formula C15H12BrN5 and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
PubChem CID79165705
Molecular FormulaC15H12BrN5
Molecular Weight342.20 g/mol
Exact Mass341.03
IUPAC Name3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C15H12BrN5/c16-14-10-21-13(8-20-15(21)9-19-14)7-18-6-12-3-1-2-11(4-12)5-17/h1-4,8-10,18H,6-7H2
InChIKeyOWUPEOHOBKPMGD-UHFFFAOYSA-N
XLogP2.65
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 79176006
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
CID 79166858
3-[(pyrimidin-5-ylmethylamino)methyl]benzonitrile
CID 55110281
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79164800
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107215
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
CID 79175722

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile (CID 79165705) is 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile is N#Cc1cccc(CNCc2cnc3cnc(Br)cn23)c1.
What is the InChIKey of 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile?
The InChIKey is OWUPEOHOBKPMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5/c16-14-10-21-13(8-20-15(21)9-19-14)7-18-6-12-3-1-2-11(4-12)5-17/h1-4,8-10,18H,6-7H2.
What are the key properties of 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile?
3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile has a molecular weight of 342.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 79165705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).