6-bromo-8-heptoxyimidazo[1,2-a]pyrazine

C13H18BrN3O — CID 79955294

IUPAC6-bromo-8-heptoxyimidazo[1,2-a]pyrazine
SMILESCCCCCCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C13H18BrN3O/c1-2-3-4-5-6-9-18-13-12-15-7-8-17(12)10-11(14)16-13/h7-8,10H,2-6,9H2,1H3
InChIKeySRFGRNFCQURWIE-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.84
Rot. Bonds7

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

6-bromo-8-heptoxyimidazo[1,2-a]pyrazine (PubChem CID 79955294) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-heptoxyimidazo[1,2-a]pyrazine
PubChem CID79955294
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name6-bromo-8-heptoxyimidazo[1,2-a]pyrazine
SMILESCCCCCCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C13H18BrN3O/c1-2-3-4-5-6-9-18-13-12-15-7-8-17(12)10-11(14)16-13/h7-8,10H,2-6,9H2,1H3
InChIKeySRFGRNFCQURWIE-UHFFFAOYSA-N
XLogP3.84
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.84
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-heptoxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine (CID 79955294) is 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine is CCCCCCCOc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine?
The InChIKey is SRFGRNFCQURWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-3-4-5-6-9-18-13-12-15-7-8-17(12)10-11(14)16-13/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine?
6-bromo-8-heptoxyimidazo[1,2-a]pyrazine has a molecular weight of 312.21 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-heptoxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).