6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine

C14H20BrN3O — CID 79955208

IUPAC6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine
SMILESCCCCCCC(C)Oc1nc(Br)cn2ccnc12
InChIInChI=1S/C14H20BrN3O/c1-3-4-5-6-7-11(2)19-14-13-16-8-9-18(13)10-12(15)17-14/h8-11H,3-7H2,1-2H3
InChIKeyOKUNOJBKCSLVIL-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.23
Rot. Bonds7

About 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine

6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine (PubChem CID 79955208) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine
PubChem CID79955208
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine
SMILESCCCCCCC(C)Oc1nc(Br)cn2ccnc12
InChIInChI=1S/C14H20BrN3O/c1-3-4-5-6-7-11(2)19-14-13-16-8-9-18(13)10-12(15)17-14/h8-11H,3-7H2,1-2H3
InChIKeyOKUNOJBKCSLVIL-UHFFFAOYSA-N
XLogP4.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine (CID 79955208) is 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine is CCCCCCC(C)Oc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine?
The InChIKey is OKUNOJBKCSLVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-3-4-5-6-7-11(2)19-14-13-16-8-9-18(13)10-12(15)17-14/h8-11H,3-7H2,1-2H3.
What are the key properties of 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine?
6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine has a molecular weight of 326.24 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).