3-cyclohexylsulfanyl-1,2,4-triazol-4-amine

C8H14N4S — CID 130626697

IUPAC3-cyclohexylsulfanyl-1,2,4-triazol-4-amine
SMILESNn1cnnc1SC1CCCCC1
InChIInChI=1S/C8H14N4S/c9-12-6-10-11-8(12)13-7-4-2-1-3-5-7/h6-7H,1-5,9H2
InChIKeyXWYBWJAJRBQMDQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.42
Rot. Bonds2

About 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine

3-cyclohexylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 130626697) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-1,2,4-triazol-4-amine
PubChem CID130626697
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name3-cyclohexylsulfanyl-1,2,4-triazol-4-amine
SMILESNn1cnnc1SC1CCCCC1
InChIInChI=1S/C8H14N4S/c9-12-6-10-11-8(12)13-7-4-2-1-3-5-7/h6-7H,1-5,9H2
InChIKeyXWYBWJAJRBQMDQ-UHFFFAOYSA-N
XLogP1.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine (CID 130626697) is 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine is Nn1cnnc1SC1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is XWYBWJAJRBQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c9-12-6-10-11-8(12)13-7-4-2-1-3-5-7/h6-7H,1-5,9H2.
What are the key properties of 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine?
3-cyclohexylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 198.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 130626697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).