cyclohexanamine;1-phenyl-2H-tetrazole-5-thione

C13H19N5S — CID 2735121

IUPACcyclohexanamine;1-phenyl-2H-tetrazole-5-thione
SMILESNC1CCCCC1.S=c1nn[nH]n1-c1ccccc1
InChIInChI=1S/C7H6N4S.C6H13N/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,10,12);6H,1-5,7H2
InChIKeyLMXVUDXSWFEDEL-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.60
Rot. Bonds1

About cyclohexanamine;1-phenyl-2H-tetrazole-5-thione

cyclohexanamine;1-phenyl-2H-tetrazole-5-thione (PubChem CID 2735121) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is cyclohexanamine;1-phenyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Namecyclohexanamine;1-phenyl-2H-tetrazole-5-thione
PubChem CID2735121
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Namecyclohexanamine;1-phenyl-2H-tetrazole-5-thione
SMILESNC1CCCCC1.S=c1nn[nH]n1-c1ccccc1
InChIInChI=1S/C7H6N4S.C6H13N/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,10,12);6H,1-5,7H2
InChIKeyLMXVUDXSWFEDEL-UHFFFAOYSA-N
XLogP2.60
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cyclohexanamine;1-phenyl-2H-tetrazole-5-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;1-phenyl-2H-tetrazole-5-thione?
The IUPAC name of cyclohexanamine;1-phenyl-2H-tetrazole-5-thione (CID 2735121) is cyclohexanamine;1-phenyl-2H-tetrazole-5-thione.
What is the SMILES notation for cyclohexanamine;1-phenyl-2H-tetrazole-5-thione?
The canonical SMILES for cyclohexanamine;1-phenyl-2H-tetrazole-5-thione is NC1CCCCC1.S=c1nn[nH]n1-c1ccccc1.
What is the InChIKey of cyclohexanamine;1-phenyl-2H-tetrazole-5-thione?
The InChIKey is LMXVUDXSWFEDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.C6H13N/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,10,12);6H,1-5,7H2.
What are the key properties of cyclohexanamine;1-phenyl-2H-tetrazole-5-thione?
cyclohexanamine;1-phenyl-2H-tetrazole-5-thione has a molecular weight of 277.40 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;1-phenyl-2H-tetrazole-5-thione is sourced from PubChem (CID 2735121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).