6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine

C12H17BrN4 — CID 79946641

IUPAC6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)CCCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C12H17BrN4/c1-9(2)4-3-5-14-11-12-15-6-7-17(12)8-10(13)16-11/h6-9H,3-5H2,1-2H3,(H,14,16)
InChIKeyOPBBVSLTKDNGJP-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.34
Rot. Bonds5

About 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79946641) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID79946641
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)CCCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C12H17BrN4/c1-9(2)4-3-5-14-11-12-15-6-7-17(12)8-10(13)16-11/h6-9H,3-5H2,1-2H3,(H,14,16)
InChIKeyOPBBVSLTKDNGJP-UHFFFAOYSA-N
XLogP3.34
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
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-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine (CID 79946641) is 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine is CC(C)CCCNc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OPBBVSLTKDNGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-9(2)4-3-5-14-11-12-15-6-7-17(12)8-10(13)16-11/h6-9H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 297.20 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79946641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).