N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine

C12H14BrN5 — CID 90412581

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cnc2c(N[C@@H]3C[C@H]4CC[C@@H]3N4)nccn12
InChIInChI=1S/C12H14BrN5/c13-10-6-15-12-11(14-3-4-18(10)12)17-9-5-7-1-2-8(9)16-7/h3-4,6-9,16H,1-2,5H2,(H,14,17)/t7-,8+,9-/m1/s1
InChIKeyFVIDDUVJSSUMOC-HRDYMLBCSA-N
MW308.18 g/mol
LogP1.80
Rot. Bonds2

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine (PubChem CID 90412581) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine
PubChem CID90412581
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cnc2c(N[C@@H]3C[C@H]4CC[C@@H]3N4)nccn12
InChIInChI=1S/C12H14BrN5/c13-10-6-15-12-11(14-3-4-18(10)12)17-9-5-7-1-2-8(9)16-7/h3-4,6-9,16H,1-2,5H2,(H,14,17)/t7-,8+,9-/m1/s1
InChIKeyFVIDDUVJSSUMOC-HRDYMLBCSA-N
XLogP1.80
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine (CID 90412581) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine is Brc1cnc2c(N[C@@H]3C[C@H]4CC[C@@H]3N4)nccn12.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FVIDDUVJSSUMOC-HRDYMLBCSA-N. The full InChI is InChI=1S/C12H14BrN5/c13-10-6-15-12-11(14-3-4-18(10)12)17-9-5-7-1-2-8(9)16-7/h3-4,6-9,16H,1-2,5H2,(H,14,17)/t7-,8+,9-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 308.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromoimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 90412581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).