1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium

C14H15N4+ — CID 89400582

IUPAC1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium
SMILESCC(C)[n+]1cn(-c2ccccc2)c2nccnc21
InChIInChI=1S/C14H15N4/c1-11(2)17-10-18(12-6-4-3-5-7-12)14-13(17)15-8-9-16-14/h3-11H,1-2H3/q+1
InChIKeyGPXQNQLLFDHHOR-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.29
Rot. Bonds2

About 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium

1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium (PubChem CID 89400582) has the molecular formula C14H15N4+ and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium.

Molecular Properties

Compound Name1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium
PubChem CID89400582
Molecular FormulaC14H15N4+
Molecular Weight239.30 g/mol
Exact Mass239.13
IUPAC Name1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium
SMILESCC(C)[n+]1cn(-c2ccccc2)c2nccnc21
InChIInChI=1S/C14H15N4/c1-11(2)17-10-18(12-6-4-3-5-7-12)14-13(17)15-8-9-16-14/h3-11H,1-2H3/q+1
InChIKeyGPXQNQLLFDHHOR-UHFFFAOYSA-N
XLogP2.29
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium?
The IUPAC name of 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium (CID 89400582) is 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium.
What is the SMILES notation for 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium?
The canonical SMILES for 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium is CC(C)[n+]1cn(-c2ccccc2)c2nccnc21.
What is the InChIKey of 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium?
The InChIKey is GPXQNQLLFDHHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N4/c1-11(2)17-10-18(12-6-4-3-5-7-12)14-13(17)15-8-9-16-14/h3-11H,1-2H3/q+1.
What are the key properties of 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium?
1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium has a molecular weight of 239.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-ylimidazo[4,5-b]pyrazin-3-ium is sourced from PubChem (CID 89400582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).