3-hexylimidazo[1,2-a]pyrazin-8-amine

C12H18N4 — CID 155529356

IUPAC3-hexylimidazo[1,2-a]pyrazin-8-amine
SMILESCCCCCCc1cnc2c(N)nccn12
InChIInChI=1S/C12H18N4/c1-2-3-4-5-6-10-9-15-12-11(13)14-7-8-16(10)12/h7-9H,2-6H2,1H3,(H2,13,14)
InChIKeyQKRFCSVGKPSUGR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.43
Rot. Bonds5

About 3-hexylimidazo[1,2-a]pyrazin-8-amine

3-hexylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 155529356) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-hexylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-hexylimidazo[1,2-a]pyrazin-8-amine
PubChem CID155529356
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-hexylimidazo[1,2-a]pyrazin-8-amine
SMILESCCCCCCc1cnc2c(N)nccn12
InChIInChI=1S/C12H18N4/c1-2-3-4-5-6-10-9-15-12-11(13)14-7-8-16(10)12/h7-9H,2-6H2,1H3,(H2,13,14)
InChIKeyQKRFCSVGKPSUGR-UHFFFAOYSA-N
XLogP2.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.43
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 3-hexylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-hexylimidazo[1,2-a]pyrazin-8-amine (CID 155529356) is 3-hexylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-hexylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-hexylimidazo[1,2-a]pyrazin-8-amine is CCCCCCc1cnc2c(N)nccn12.
What is the InChIKey of 3-hexylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is QKRFCSVGKPSUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-3-4-5-6-10-9-15-12-11(13)14-7-8-16(10)12/h7-9H,2-6H2,1H3,(H2,13,14).
What are the key properties of 3-hexylimidazo[1,2-a]pyrazin-8-amine?
3-hexylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 218.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 155529356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).