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

C11H8N3Pt- — CID 58517961

IUPAC2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
SMILESCc1nc2c3[c-]cccc3ccn2n1.[Pt]
InChIInChI=1S/C11H8N3.Pt/c1-8-12-11-10-5-3-2-4-9(10)6-7-14(11)13-8;/h2-4,6-7H,1H3;/q-1;
InChIKeyYRKXKQLLIMBANB-UHFFFAOYSA-N
MW377.28 g/mol
LogP1.99
Rot. Bonds

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

2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum (PubChem CID 58517961) has the molecular formula C11H8N3Pt- and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum.

Molecular Properties

Compound Name2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
PubChem CID58517961
Molecular FormulaC11H8N3Pt-
Molecular Weight377.28 g/mol
Exact Mass377.04
IUPAC Name2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
SMILESCc1nc2c3[c-]cccc3ccn2n1.[Pt]
InChIInChI=1S/C11H8N3.Pt/c1-8-12-11-10-5-3-2-4-9(10)6-7-14(11)13-8;/h2-4,6-7H,1H3;/q-1;
InChIKeyYRKXKQLLIMBANB-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-(2,2-Dimethylpropyl)-1-methyl-3-(3-methylbenzene-6-id-1-yl)-1,2,4-triazole;iridium
CID 58162148
Chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162866
Iridium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162909
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
iridium;5-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517481
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
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
3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The IUPAC name of 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum (CID 58517961) is 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum.
What is the SMILES notation for 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The canonical SMILES for 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum is Cc1nc2c3[c-]cccc3ccn2n1.[Pt].
What is the InChIKey of 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
The InChIKey is YRKXKQLLIMBANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N3.Pt/c1-8-12-11-10-5-3-2-4-9(10)6-7-14(11)13-8;/h2-4,6-7H,1H3;/q-1;.
What are the key properties of 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum?
2-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 2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum is sourced from PubChem (CID 58517961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).