iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide

C14H14IrN4-2 — CID 58556408

IUPACiridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide
SMILESCC(C)N1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir]
InChIInChI=1S/C14H14N4.Ir/c1-11(2)17-10-18(12-6-4-3-5-7-12)14-13(17)15-8-9-16-14;/h3-6,8-11H,1-2H3;/q-2;
InChIKeyPCFRAAXBAUGJLO-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.76
Rot. Bonds2

About iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide

iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide (PubChem CID 58556408) has the molecular formula C14H14IrN4-2 and a molecular weight of 430.51 g/mol. Its IUPAC name is iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide.

Molecular Properties

Compound Nameiridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide
PubChem CID58556408
Molecular FormulaC14H14IrN4-2
Molecular Weight430.51 g/mol
Exact Mass431.09
IUPAC Nameiridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide
SMILESCC(C)N1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir]
InChIInChI=1S/C14H14N4.Ir/c1-11(2)17-10-18(12-6-4-3-5-7-12)14-13(17)15-8-9-16-14;/h3-6,8-11H,1-2H3;/q-2;
InChIKeyPCFRAAXBAUGJLO-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.76
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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Related Compounds

iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 58556318
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide
CID 58556382
iridium;1-methyl-3-phenyl-2H-imidazol-2-ylium
CID 58986751
1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;osmium
CID 60138744
(2S)-1,2-dimethyl-3-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-2H-imidazo[4,5-b]pyrazine
CID 117797822
CID 164706110
CID 164706110

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide?
The IUPAC name of iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide (CID 58556408) is iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide.
What is the SMILES notation for iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide?
The canonical SMILES for iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide is CC(C)N1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir].
What is the InChIKey of iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide?
The InChIKey is PCFRAAXBAUGJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4.Ir/c1-11(2)17-10-18(12-6-4-3-5-7-12)14-13(17)15-8-9-16-14;/h3-6,8-11H,1-2H3;/q-2;.
What are the key properties of iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide?
iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide has a molecular weight of 430.51 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-2-ide is sourced from PubChem (CID 58556408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).