2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium

C15H21IrN4- — CID 58162234

IUPAC2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium
SMILESCCC(C)c1cn(-c2cnc(C(C)CC)cn2)[c-]n1.[Ir]
InChIInChI=1S/C15H21N4.Ir/c1-5-11(3)13-7-17-15(8-16-13)19-9-14(18-10-19)12(4)6-2;/h7-9,11-12H,5-6H2,1-4H3;/q-1;
InChIKeyRPZMCDCECWRZPA-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.49
Rot. Bonds5

About 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium

2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium (PubChem CID 58162234) has the molecular formula C15H21IrN4- and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium.

Molecular Properties

Compound Name2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium
PubChem CID58162234
Molecular FormulaC15H21IrN4-
Molecular Weight449.58 g/mol
Exact Mass450.14
IUPAC Name2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium
SMILESCCC(C)c1cn(-c2cnc(C(C)CC)cn2)[c-]n1.[Ir]
InChIInChI=1S/C15H21N4.Ir/c1-5-11(3)13-7-17-15(8-16-13)19-9-14(18-10-19)12(4)6-2;/h7-9,11-12H,5-6H2,1-4H3;/q-1;
InChIKeyRPZMCDCECWRZPA-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium?
The IUPAC name of 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium (CID 58162234) is 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium.
What is the SMILES notation for 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium?
The canonical SMILES for 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium is CCC(C)c1cn(-c2cnc(C(C)CC)cn2)[c-]n1.[Ir].
What is the InChIKey of 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium?
The InChIKey is RPZMCDCECWRZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N4.Ir/c1-5-11(3)13-7-17-15(8-16-13)19-9-14(18-10-19)12(4)6-2;/h7-9,11-12H,5-6H2,1-4H3;/q-1;.
What are the key properties of 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium?
2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium has a molecular weight of 449.58 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(4-butan-2-yl-2H-imidazol-2-id-1-yl)pyrazine;iridium is sourced from PubChem (CID 58162234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).