3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium

C10H10IrN3- — CID 58240266

IUPAC3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium
SMILESCc1nnc(-c2[c-]cccc2)n1C.[Ir]
InChIInChI=1S/C10H10N3.Ir/c1-8-11-12-10(13(8)2)9-6-4-3-5-7-9;/h3-6H,1-2H3;/q-1;
InChIKeyMSFKAFHPTUYLAP-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.59
Rot. Bonds1

About 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium

3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium (PubChem CID 58240266) has the molecular formula C10H10IrN3- and a molecular weight of 364.43 g/mol. Its IUPAC name is 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium.

Molecular Properties

Compound Name3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium
PubChem CID58240266
Molecular FormulaC10H10IrN3-
Molecular Weight364.43 g/mol
Exact Mass365.05
IUPAC Name3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium
SMILESCc1nnc(-c2[c-]cccc2)n1C.[Ir]
InChIInChI=1S/C10H10N3.Ir/c1-8-11-12-10(13(8)2)9-6-4-3-5-7-9;/h3-6H,1-2H3;/q-1;
InChIKeyMSFKAFHPTUYLAP-UHFFFAOYSA-N
XLogP1.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.59
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

4-Tert-butyl-3-(1,1-difluoroethyl)-5-phenyl-1,2,4-triazole;iridium
CID 58426447
3-(1,1-Difluoroethyl)-4-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58426455
4-Methyl-3-phenyl-1,2,4-triazole;platinum
CID 57648505
Iridium;1-methyl-3-phenyl-1,2,4-triazole
CID 57703189
5-(2,2-Dimethylpropyl)-1-methyl-3-(3-methylbenzene-6-id-1-yl)-1,2,4-triazole;iridium
CID 58162148
3-(2,4-Difluorobenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1-methyl-1,2,4-triazole;iridium
CID 58162213
Iridium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162909
Iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
CID 58240206
4-Cyclohexyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58240251
Iridium;4-(2-methylpropyl)-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 58240257
Iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
CID 58240275
4-Tert-butyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58426424

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium?
The IUPAC name of 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium (CID 58240266) is 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium.
What is the SMILES notation for 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium?
The canonical SMILES for 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium is Cc1nnc(-c2[c-]cccc2)n1C.[Ir].
What is the InChIKey of 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium?
The InChIKey is MSFKAFHPTUYLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N3.Ir/c1-8-11-12-10(13(8)2)9-6-4-3-5-7-9;/h3-6H,1-2H3;/q-1;.
What are the key properties of 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium?
3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium has a molecular weight of 364.43 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium is sourced from PubChem (CID 58240266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).