6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine

C12H16BrN3O — CID 79955664

IUPAC6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine
SMILESCC(C)CCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C12H16BrN3O/c1-9(2)4-3-7-17-12-11-14-5-6-16(11)8-10(13)15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPFKLXMAEPQDBIS-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.31
Rot. Bonds5

About 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine

6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine (PubChem CID 79955664) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine
PubChem CID79955664
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine
SMILESCC(C)CCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C12H16BrN3O/c1-9(2)4-3-7-17-12-11-14-5-6-16(11)8-10(13)15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPFKLXMAEPQDBIS-UHFFFAOYSA-N
XLogP3.31
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.31
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-(4-methylpentoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine (CID 79955664) is 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine is CC(C)CCCOc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine?
The InChIKey is PFKLXMAEPQDBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-9(2)4-3-7-17-12-11-14-5-6-16(11)8-10(13)15-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine has a molecular weight of 298.18 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).