iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C12H12IrN3- — CID 140603852

IUPACiridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILES[Ir].[c-]1ccccc1-c1nnc2n1CCCC2
InChIInChI=1S/C12H12N3.Ir/c1-2-6-10(7-3-1)12-14-13-11-8-4-5-9-15(11)12;/h1-3,6H,4-5,8-9H2;/q-1;
InChIKeyLEMQUUKPOWHQJZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.08
Rot. Bonds1

About iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 140603852) has the molecular formula C12H12IrN3- and a molecular weight of 390.47 g/mol. Its IUPAC name is iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameiridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID140603852
Molecular FormulaC12H12IrN3-
Molecular Weight390.47 g/mol
Exact Mass391.07
IUPAC Nameiridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILES[Ir].[c-]1ccccc1-c1nnc2n1CCCC2
InChIInChI=1S/C12H12N3.Ir/c1-2-6-10(7-3-1)12-14-13-11-8-4-5-9-15(11)12;/h1-3,6H,4-5,8-9H2;/q-1;
InChIKeyLEMQUUKPOWHQJZ-UHFFFAOYSA-N
XLogP2.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.08
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-Cyclohexyl-3-(1,1,2,2,2-pentafluoroethyl)-5-phenyl-1,2,4-triazole;iridium
CID 58426439
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
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
3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517614
1,3-Dimethyl-5-phenyl-1,2,4-triazole;iridium
CID 59661674
Lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 70917337
1-Cyclohexyl-3-methyl-5-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)-1,2,4-triazole;iridium
CID 140777405
1-Cyclohexyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 140777410

Frequently Asked Questions

What is the IUPAC name of iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 140603852) is iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is [Ir].[c-]1ccccc1-c1nnc2n1CCCC2.
What is the InChIKey of iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LEMQUUKPOWHQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3.Ir/c1-2-6-10(7-3-1)12-14-13-11-8-4-5-9-15(11)12;/h1-3,6H,4-5,8-9H2;/q-1;.
What are the key properties of iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 390.47 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 140603852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).