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

C11H8N3Pt- — CID 58517530

IUPAC6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
SMILESCc1cn2ncnc2c2[c-]cccc12.[Pt]
InChIInChI=1S/C11H8N3.Pt/c1-8-6-14-11(12-7-13-14)10-5-3-2-4-9(8)10;/h2-4,6-7H,1H3;/q-1;
InChIKeyCZPVDHCIYWCLPS-UHFFFAOYSA-N
MW377.28 g/mol
LogP1.99
Rot. Bonds

About 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum

6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum (PubChem CID 58517530) has the molecular formula C11H8N3Pt- and a molecular weight of 377.28 g/mol. Its IUPAC name is 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum.

Molecular Properties

Compound Name6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
PubChem CID58517530
Molecular FormulaC11H8N3Pt-
Molecular Weight377.28 g/mol
Exact Mass377.04
IUPAC Name6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
SMILESCc1cn2ncnc2c2[c-]cccc12.[Pt]
InChIInChI=1S/C11H8N3.Pt/c1-8-6-14-11(12-7-13-14)10-5-3-2-4-9(8)10;/h2-4,6-7H,1H3;/q-1;
InChIKeyCZPVDHCIYWCLPS-UHFFFAOYSA-N
XLogP1.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 51.99
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

5,6,7,10-Tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline
CID 21959585
iridium;3-(1-methyl-1,2,4-triazol-3-yl)-2H-pyridin-2-ide
CID 57746218
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
iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517607
3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517614
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
7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517824
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 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The IUPAC name of 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum (CID 58517530) is 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum.
What is the SMILES notation for 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The canonical SMILES for 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum is Cc1cn2ncnc2c2[c-]cccc12.[Pt].
What is the InChIKey of 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The InChIKey is CZPVDHCIYWCLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N3.Pt/c1-8-6-14-11(12-7-13-14)10-5-3-2-4-9(8)10;/h2-4,6-7H,1H3;/q-1;.
What are the key properties of 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum has a molecular weight of 377.28 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum is sourced from PubChem (CID 58517530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).