iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide

C10H7IrN4- — CID 58517628

IUPACiridium;5-methylpyrido[2,3-e]benzotriazol-1-ide
SMILESCc1cc2nn[n-]c2c2ncccc12.[Ir]
InChIInChI=1S/C10H7N4.Ir/c1-6-5-8-10(13-14-12-8)9-7(6)3-2-4-11-9;/h2-5H,1H3;/q-1;
InChIKeyJKKADSWLZLXCAT-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.44
Rot. Bonds

About iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide

iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide (PubChem CID 58517628) has the molecular formula C10H7IrN4- and a molecular weight of 375.41 g/mol. Its IUPAC name is iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide.

Molecular Properties

Compound Nameiridium;5-methylpyrido[2,3-e]benzotriazol-1-ide
PubChem CID58517628
Molecular FormulaC10H7IrN4-
Molecular Weight375.41 g/mol
Exact Mass376.03
IUPAC Nameiridium;5-methylpyrido[2,3-e]benzotriazol-1-ide
SMILESCc1cc2nn[n-]c2c2ncccc12.[Ir]
InChIInChI=1S/C10H7N4.Ir/c1-6-5-8-10(13-14-12-8)9-7(6)3-2-4-11-9;/h2-5H,1H3;/q-1;
InChIKeyJKKADSWLZLXCAT-UHFFFAOYSA-N
XLogP1.44
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

iridium;3,4,8-triaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 58239349
5-methyl-2H-triazolo[4,5-h]quinoline
CID 58517629
5,7-dimethylquinolin-8-ol
CID 118341298
5-methyl-1H-pyrazolo[4,5-h]quinoline
CID 58517726
7-fluoro-5-methylquinolin-8-ol
CID 59613713
5,7-dimethyl-8-propan-2-yloxyquinoline
CID 143619091
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433
5,8-dimethyl-1,7-naphthyridine
CID 58593146
ethane;5-methylquinoline-8-carbonitrile
CID 143801649
(5-methylquinolin-8-yl)boronic acid
CID 59606741
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
17-aza-3-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7,9,11,14,16-octaene;iridium
CID 58239345

Frequently Asked Questions

What is the IUPAC name of iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide?
The IUPAC name of iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide (CID 58517628) is iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide.
What is the SMILES notation for iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide?
The canonical SMILES for iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide is Cc1cc2nn[n-]c2c2ncccc12.[Ir].
What is the InChIKey of iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide?
The InChIKey is JKKADSWLZLXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N4.Ir/c1-6-5-8-10(13-14-12-8)9-7(6)3-2-4-11-9;/h2-5H,1H3;/q-1;.
What are the key properties of iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide?
iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide has a molecular weight of 375.41 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methylpyrido[2,3-e]benzotriazol-1-ide is sourced from PubChem (CID 58517628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).