3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile

C14H10BrN5 — CID 79947007

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1nc(Br)cn2ccnc12
InChIInChI=1S/C14H10BrN5/c1-19(11-4-2-3-10(7-11)8-16)14-13-17-5-6-20(13)9-12(15)18-14/h2-7,9H,1H3
InChIKeyLUMXOHABWJFISZ-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.13
Rot. Bonds2

About 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile

3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile (PubChem CID 79947007) has the molecular formula C14H10BrN5 and a molecular weight of 328.17 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile
PubChem CID79947007
Molecular FormulaC14H10BrN5
Molecular Weight328.17 g/mol
Exact Mass327.01
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1nc(Br)cn2ccnc12
InChIInChI=1S/C14H10BrN5/c1-19(11-4-2-3-10(7-11)8-16)14-13-17-5-6-20(13)9-12(15)18-14/h2-7,9H,1H3
InChIKeyLUMXOHABWJFISZ-UHFFFAOYSA-N
XLogP3.13
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile (CID 79947007) is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile is CN(c1cccc(C#N)c1)c1nc(Br)cn2ccnc12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile?
The InChIKey is LUMXOHABWJFISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5/c1-19(11-4-2-3-10(7-11)8-16)14-13-17-5-6-20(13)9-12(15)18-14/h2-7,9H,1H3.
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile?
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile has a molecular weight of 328.17 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile is sourced from PubChem (CID 79947007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).