5-methyl-1-phenyl-1,2,4-triazole;platinum

C9H8N3Pt- — CID 58162916

IUPAC5-methyl-1-phenyl-1,2,4-triazole;platinum
SMILESCc1ncnn1-c1[c-]cccc1.[Pt]
InChIInChI=1S/C9H8N3.Pt/c1-8-10-7-11-12(8)9-5-3-2-4-6-9;/h2-5,7H,1H3;/q-1;
InChIKeyFWTGUAJEAMCKRN-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.37
Rot. Bonds1

About 5-methyl-1-phenyl-1,2,4-triazole;platinum

5-methyl-1-phenyl-1,2,4-triazole;platinum (PubChem CID 58162916) has the molecular formula C9H8N3Pt- and a molecular weight of 353.26 g/mol. Its IUPAC name is 5-methyl-1-phenyl-1,2,4-triazole;platinum.

Molecular Properties

Compound Name5-methyl-1-phenyl-1,2,4-triazole;platinum
PubChem CID58162916
Molecular FormulaC9H8N3Pt-
Molecular Weight353.26 g/mol
Exact Mass353.04
IUPAC Name5-methyl-1-phenyl-1,2,4-triazole;platinum
SMILESCc1ncnn1-c1[c-]cccc1.[Pt]
InChIInChI=1S/C9H8N3.Pt/c1-8-10-7-11-12(8)9-5-3-2-4-6-9;/h2-5,7H,1H3;/q-1;
InChIKeyFWTGUAJEAMCKRN-UHFFFAOYSA-N
XLogP1.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.37
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-(3-Methylbutan-2-yl)-1-phenyl-1,2,4-triazole;nickel
CID 58162004
Lithium 5-methyl-1-phenyl-1,2,4-triazole
CID 58162954
Iridium;1-phenyl-3-propyl-1,2,4-triazole
CID 58621045
3-Ethyl-1-phenyl-1,2,4-triazole;iridium
CID 58621100
3-Ethyl-1-phenyl-1,2,4-triazole;rhodium
CID 58621473
3-Methyl-1-penta-1,3-dien-2-yl-1,2,4-triazole
CID 123366769
5-methyl-1-[(2Z)-penta-2,4-dien-2-yl]-1,2,4-triazole
CID 135246435
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-1,2,4-triazole
CID 156157879
5-[(Z)-prop-1-enyl]-1-prop-1-en-2-yl-1,2,4-triazole
CID 166089411

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-1,2,4-triazole;platinum?
The IUPAC name of 5-methyl-1-phenyl-1,2,4-triazole;platinum (CID 58162916) is 5-methyl-1-phenyl-1,2,4-triazole;platinum.
What is the SMILES notation for 5-methyl-1-phenyl-1,2,4-triazole;platinum?
The canonical SMILES for 5-methyl-1-phenyl-1,2,4-triazole;platinum is Cc1ncnn1-c1[c-]cccc1.[Pt].
What is the InChIKey of 5-methyl-1-phenyl-1,2,4-triazole;platinum?
The InChIKey is FWTGUAJEAMCKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3.Pt/c1-8-10-7-11-12(8)9-5-3-2-4-6-9;/h2-5,7H,1H3;/q-1;.
What are the key properties of 5-methyl-1-phenyl-1,2,4-triazole;platinum?
5-methyl-1-phenyl-1,2,4-triazole;platinum has a molecular weight of 353.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-1,2,4-triazole;platinum is sourced from PubChem (CID 58162916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).