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

C10H10IrN3- — CID 59661674

IUPAC1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium
SMILESCc1nc(-c2[c-]cccc2)n(C)n1.[Ir]
InChIInChI=1S/C10H10N3.Ir/c1-8-11-10(13(2)12-8)9-6-4-3-5-7-9;/h3-6H,1-2H3;/q-1;
InChIKeyZLCROIZYKQJFHF-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.59
Rot. Bonds1

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

1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium (PubChem CID 59661674) has the molecular formula C10H10IrN3- and a molecular weight of 364.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium.

Molecular Properties

Compound Name1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium
PubChem CID59661674
Molecular FormulaC10H10IrN3-
Molecular Weight364.43 g/mol
Exact Mass365.05
IUPAC Name1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium
SMILESCc1nc(-c2[c-]cccc2)n(C)n1.[Ir]
InChIInChI=1S/C10H10N3.Ir/c1-8-11-10(13(2)12-8)9-6-4-3-5-7-9;/h3-6H,1-2H3;/q-1;
InChIKeyZLCROIZYKQJFHF-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

3-(1,1-Difluoroethyl)-4-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58426455
(7S)-7-[(2Z,4Z)-4,5-difluorohepta-2,4,6-trien-3-yl]-2-ethenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 143770195
4-Methyl-3-phenyl-1,2,4-triazole;platinum
CID 57648505
Iridium;1-methyl-3-phenyl-1,2,4-triazole
CID 57703189
iridium;3-(1-methyl-1,2,4-triazol-3-yl)-2H-pyridin-2-ide
CID 57746218
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
Chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162866
Iridium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162909
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium?
The IUPAC name of 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium (CID 59661674) is 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium.
What is the SMILES notation for 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium?
The canonical SMILES for 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium is Cc1nc(-c2[c-]cccc2)n(C)n1.[Ir].
What is the InChIKey of 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium?
The InChIKey is ZLCROIZYKQJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N3.Ir/c1-8-11-10(13(2)12-8)9-6-4-3-5-7-9;/h3-6H,1-2H3;/q-1;.
What are the key properties of 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium?
1,3-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 1,3-dimethyl-5-phenyl-1,2,4-triazole;iridium is sourced from PubChem (CID 59661674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).