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

C9H8IrN3- — CID 59661348

IUPACiridium;4-methyl-3-phenyl-1,2,4-triazole
SMILESCn1cnnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C9H8N3.Ir/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;/h2-5,7H,1H3;/q-1;
InChIKeyJMZKWBZBPRFUAH-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.28
Rot. Bonds1

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

iridium;4-methyl-3-phenyl-1,2,4-triazole (PubChem CID 59661348) has the molecular formula C9H8IrN3- and a molecular weight of 350.40 g/mol. Its IUPAC name is iridium;4-methyl-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Nameiridium;4-methyl-3-phenyl-1,2,4-triazole
PubChem CID59661348
Molecular FormulaC9H8IrN3-
Molecular Weight350.40 g/mol
Exact Mass351.04
IUPAC Nameiridium;4-methyl-3-phenyl-1,2,4-triazole
SMILESCn1cnnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C9H8N3.Ir/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;/h2-5,7H,1H3;/q-1;
InChIKeyJMZKWBZBPRFUAH-UHFFFAOYSA-N
XLogP1.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;4-methyl-3-phenyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,1-Difluoroethyl)-4-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58426455
(Z)-4-hydroxypent-3-en-2-one;iridium;4-methyl-3-phenyl-1,2,4-triazole
CID 57648503
4-Methyl-3-phenyl-1,2,4-triazole;platinum
CID 57648505
N,N-dimethyl-3-(4-methyl-1,2,4-triazol-3-yl)benzene-4-id-1-amine;iridium
CID 57648579
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
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
Iridium;4-(2-methylpropyl)-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 58240257
3,4-Dimethyl-5-phenyl-1,2,4-triazole;iridium
CID 58240266
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 iridium;4-methyl-3-phenyl-1,2,4-triazole?
The IUPAC name of iridium;4-methyl-3-phenyl-1,2,4-triazole (CID 59661348) is iridium;4-methyl-3-phenyl-1,2,4-triazole.
What is the SMILES notation for iridium;4-methyl-3-phenyl-1,2,4-triazole?
The canonical SMILES for iridium;4-methyl-3-phenyl-1,2,4-triazole is Cn1cnnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;4-methyl-3-phenyl-1,2,4-triazole?
The InChIKey is JMZKWBZBPRFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3.Ir/c1-12-7-10-11-9(12)8-5-3-2-4-6-8;/h2-5,7H,1H3;/q-1;.
What are the key properties of iridium;4-methyl-3-phenyl-1,2,4-triazole?
iridium;4-methyl-3-phenyl-1,2,4-triazole has a molecular weight of 350.40 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 59661348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).