7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum

C11H5N4Pt- — CID 58517824

IUPAC7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
SMILES[C-]#[N+]c1cc[c-]c2c1ccn1ncnc21.[Pt]
InChIInChI=1S/C11H5N4.Pt/c1-12-10-4-2-3-9-8(10)5-6-15-11(9)13-7-14-15;/h2,4-7H;/q-1;
InChIKeyPEBWYHSKUGZGHR-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.23
Rot. Bonds

About 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum

7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum (PubChem CID 58517824) has the molecular formula C11H5N4Pt- and a molecular weight of 388.27 g/mol. Its IUPAC name is 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum.

Molecular Properties

Compound Name7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
PubChem CID58517824
Molecular FormulaC11H5N4Pt-
Molecular Weight388.27 g/mol
Exact Mass388.02
IUPAC Name7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
SMILES[C-]#[N+]c1cc[c-]c2c1ccn1ncnc21.[Pt]
InChIInChI=1S/C11H5N4.Pt/c1-12-10-4-2-3-9-8(10)5-6-15-11(9)13-7-14-15;/h2,4-7H;/q-1;
InChIKeyPEBWYHSKUGZGHR-UHFFFAOYSA-N
XLogP2.23
TPSA34.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.23
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

6h-[1,2,4]Triazolo[1,5-a]indole
CID 129728299
iridium;5-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517481
7-isocyano-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;platinum
CID 58517486
6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517530
iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517607
iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide
CID 58517693
iridium;10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517727
iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517805
iridium;10H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-10-ide
CID 58517814
platinum;10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517896
iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517956
2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517961

Frequently Asked Questions

What is the IUPAC name of 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The IUPAC name of 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum (CID 58517824) is 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum.
What is the SMILES notation for 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The canonical SMILES for 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum is [C-]#[N+]c1cc[c-]c2c1ccn1ncnc21.[Pt].
What is the InChIKey of 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The InChIKey is PEBWYHSKUGZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N4.Pt/c1-12-10-4-2-3-9-8(10)5-6-15-11(9)13-7-14-15;/h2,4-7H;/q-1;.
What are the key properties of 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum has a molecular weight of 388.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum is sourced from PubChem (CID 58517824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).