iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide

C14H11IrN4- — CID 58068032

IUPACiridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide
SMILESCc1nnc(-c2[c-]ccnc2)n1-c1ccccc1.[Ir]
InChIInChI=1S/C14H11N4.Ir/c1-11-16-17-14(12-6-5-9-15-10-12)18(11)13-7-3-2-4-8-13;/h2-5,7-10H,1H3;/q-1;
InChIKeyQPXBCZFSPYUBLH-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.44
Rot. Bonds2

About iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide

iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide (PubChem CID 58068032) has the molecular formula C14H11IrN4- and a molecular weight of 427.49 g/mol. Its IUPAC name is iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide.

Molecular Properties

Compound Nameiridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide
PubChem CID58068032
Molecular FormulaC14H11IrN4-
Molecular Weight427.49 g/mol
Exact Mass428.06
IUPAC Nameiridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide
SMILESCc1nnc(-c2[c-]ccnc2)n1-c1ccccc1.[Ir]
InChIInChI=1S/C14H11N4.Ir/c1-11-16-17-14(12-6-5-9-15-10-12)18(11)13-7-3-2-4-8-13;/h2-5,7-10H,1H3;/q-1;
InChIKeyQPXBCZFSPYUBLH-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.44
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

tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
iridium;pentane-2,4-diol;3-(5-phenyl-3-phenyl-1,2,4-triazol-4-yl)pyridine
CID 59512716
4-chloro-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)aniline
CID 61361168
iridium;3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole
CID 59512750
4,5-diphenyl-3-phenyl-1,2,4-triazole;iridium;pentane-2,4-diol
CID 59512739
(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-pyridin-2-ylmethanethiol
CID 21157135
iridium;3-pyridin-2-yl-4H-pyridin-4-ide
CID 140686819
3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine
CID 63385254
3-cyclohexyl-4-phenyl-5-phenyl-1,2,4-triazole;iridium
CID 58240240
bis(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-phenyl-1,2,4-triazole;3-methyl-5-naphthalen-2-yl-4-phenyl-1,2,4-triazole;pentane-2,4-diol
CID 157346046
[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325438
3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole
CID 58240274

Frequently Asked Questions

What is the IUPAC name of iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide?
The IUPAC name of iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide (CID 58068032) is iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide.
What is the SMILES notation for iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide?
The canonical SMILES for iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide is Cc1nnc(-c2[c-]ccnc2)n1-c1ccccc1.[Ir].
What is the InChIKey of iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide?
The InChIKey is QPXBCZFSPYUBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N4.Ir/c1-11-16-17-14(12-6-5-9-15-10-12)18(11)13-7-3-2-4-8-13;/h2-5,7-10H,1H3;/q-1;.
What are the key properties of iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide?
iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide has a molecular weight of 427.49 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4H-pyridin-4-ide is sourced from PubChem (CID 58068032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).