3-ethyl-1-phenyl-1,2,4-triazole;iridium

C10H10IrN3- — CID 58621100

IUPAC3-ethyl-1-phenyl-1,2,4-triazole;iridium
SMILESCCc1ncn(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C10H10N3.Ir/c1-2-10-11-8-13(12-10)9-6-4-3-5-7-9;/h3-6,8H,2H2,1H3;/q-1;
InChIKeyBCDJXCYEQDORCN-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.63
Rot. Bonds2

About 3-ethyl-1-phenyl-1,2,4-triazole;iridium

3-ethyl-1-phenyl-1,2,4-triazole;iridium (PubChem CID 58621100) has the molecular formula C10H10IrN3- and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-1,2,4-triazole;iridium.

Molecular Properties

Compound Name3-ethyl-1-phenyl-1,2,4-triazole;iridium
PubChem CID58621100
Molecular FormulaC10H10IrN3-
Molecular Weight364.43 g/mol
Exact Mass365.05
IUPAC Name3-ethyl-1-phenyl-1,2,4-triazole;iridium
SMILESCCc1ncn(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C10H10N3.Ir/c1-2-10-11-8-13(12-10)9-6-4-3-5-7-9;/h3-6,8H,2H2,1H3;/q-1;
InChIKeyBCDJXCYEQDORCN-UHFFFAOYSA-N
XLogP1.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-phenyl-1,2,4-triazole
CID 23526310
Iridium;1-methyl-3-phenyl-1,2,4-triazole
CID 57703189
5-(3-Methylbutan-2-yl)-1-phenyl-1,2,4-triazole;nickel
CID 58162004
5-Methyl-1-phenyl-1,2,4-triazole;platinum
CID 58162916
Lithium 5-methyl-1-phenyl-1,2,4-triazole
CID 58162954
Iridium;1-phenyl-3-propyl-1,2,4-triazole
CID 58621045
3-Ethyl-1-phenyl-1,2,4-triazole;rhodium
CID 58621473
3-Methyl-1-penta-1,3-dien-2-yl-1,2,4-triazole
CID 123366769
Iridium;4-methyl-1-phenyl-1,2,4-triazol-4-ium
CID 153088729
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-1,2,4-triazole
CID 156157879

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-1,2,4-triazole;iridium?
The IUPAC name of 3-ethyl-1-phenyl-1,2,4-triazole;iridium (CID 58621100) is 3-ethyl-1-phenyl-1,2,4-triazole;iridium.
What is the SMILES notation for 3-ethyl-1-phenyl-1,2,4-triazole;iridium?
The canonical SMILES for 3-ethyl-1-phenyl-1,2,4-triazole;iridium is CCc1ncn(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of 3-ethyl-1-phenyl-1,2,4-triazole;iridium?
The InChIKey is BCDJXCYEQDORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N3.Ir/c1-2-10-11-8-13(12-10)9-6-4-3-5-7-9;/h3-6,8H,2H2,1H3;/q-1;.
What are the key properties of 3-ethyl-1-phenyl-1,2,4-triazole;iridium?
3-ethyl-1-phenyl-1,2,4-triazole;iridium has a molecular weight of 364.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-1,2,4-triazole;iridium is sourced from PubChem (CID 58621100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).