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

C10H12BrN3O — CID 79955119

IUPAC6-bromo-8-butoxyimidazo[1,2-a]pyrazine
SMILESCCCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H12BrN3O/c1-2-3-6-15-10-9-12-4-5-14(9)7-8(11)13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyDNINVRCAQVLBCI-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.67
Rot. Bonds4

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

6-bromo-8-butoxyimidazo[1,2-a]pyrazine (PubChem CID 79955119) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-bromo-8-butoxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-butoxyimidazo[1,2-a]pyrazine
PubChem CID79955119
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name6-bromo-8-butoxyimidazo[1,2-a]pyrazine
SMILESCCCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H12BrN3O/c1-2-3-6-15-10-9-12-4-5-14(9)7-8(11)13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyDNINVRCAQVLBCI-UHFFFAOYSA-N
XLogP2.67
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.67
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-butoxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-butoxyimidazo[1,2-a]pyrazine (CID 79955119) is 6-bromo-8-butoxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-butoxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-butoxyimidazo[1,2-a]pyrazine is CCCCOc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-butoxyimidazo[1,2-a]pyrazine?
The InChIKey is DNINVRCAQVLBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-2-3-6-15-10-9-12-4-5-14(9)7-8(11)13-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6-bromo-8-butoxyimidazo[1,2-a]pyrazine?
6-bromo-8-butoxyimidazo[1,2-a]pyrazine has a molecular weight of 270.13 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-butoxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).