4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate

C10H17N3S — CID 15410228

IUPAC4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
SMILESCc1n(C)nc([S-])[n+]1C1CCCCC1
InChIInChI=1S/C10H17N3S/c1-8-12(2)11-10(14)13(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyRNOOFKFCPLLXMM-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.43
Rot. Bonds1

About 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate

4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate (PubChem CID 15410228) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate.

Molecular Properties

Compound Name4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
PubChem CID15410228
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
SMILESCc1n(C)nc([S-])[n+]1C1CCCCC1
InChIInChI=1S/C10H17N3S/c1-8-12(2)11-10(14)13(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyRNOOFKFCPLLXMM-UHFFFAOYSA-N
XLogP1.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexazole
CID 3083863
4-Cyclohexyl-3-methyl-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole
CID 4803633
1-Methyl-4-octyl-5-(trifluoromethyl)-1,2,4-triazol-4-ium-3-thiolate
CID 18721226
4-Cyclohexyl-3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazole
CID 59287295
1,5-Dimethyl-4-propan-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 21917670
4-Hexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 58997916
4-Cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole
CID 164667290
1-Cyclohexyl-5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-triazole
CID 153760084
4-cyclohexyl-5-methyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165466247
4-cyclohexyl-5-ethyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165487645
4-Cyclohexyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 9117260
4-Cyclohexyl-3-methyl-4H-1,2,4-triazole
CID 12158185

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate?
The IUPAC name of 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate (CID 15410228) is 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate.
What is the SMILES notation for 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate?
The canonical SMILES for 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate is Cc1n(C)nc([S-])[n+]1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate?
The InChIKey is RNOOFKFCPLLXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-12(2)11-10(14)13(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate?
4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate has a molecular weight of 211.33 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate is sourced from PubChem (CID 15410228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).