3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine

C14H18BrN5O — CID 123183862

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC4COCCN4C3)nc(Br)c12
InChIInChI=1S/C14H18BrN5O/c15-12-11-13(16)17-3-4-20(11)14(18-12)9-1-2-10-8-21-6-5-19(10)7-9/h3-4,9-10H,1-2,5-8H2,(H2,16,17)
InChIKeyXVKFOPAYSGBOBW-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.65
Rot. Bonds1

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine

3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine (PubChem CID 123183862) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine
PubChem CID123183862
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC4COCCN4C3)nc(Br)c12
InChIInChI=1S/C14H18BrN5O/c15-12-11-13(16)17-3-4-20(11)14(18-12)9-1-2-10-8-21-6-5-19(10)7-9/h3-4,9-10H,1-2,5-8H2,(H2,16,17)
InChIKeyXVKFOPAYSGBOBW-UHFFFAOYSA-N
XLogP1.65
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine (CID 123183862) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC4COCCN4C3)nc(Br)c12.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is XVKFOPAYSGBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c15-12-11-13(16)17-3-4-20(11)14(18-12)9-1-2-10-8-21-6-5-19(10)7-9/h3-4,9-10H,1-2,5-8H2,(H2,16,17).
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 352.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 123183862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).