1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

C13H24N4S — CID 55111565

IUPAC1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C13H24N4S/c1-17-13(11(14)8-9-18-2)15-12(16-17)10-6-4-3-5-7-10/h10-11H,3-9,14H2,1-2H3
InChIKeyKCORLDXBORGZMV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.62
Rot. Bonds5

About 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 55111565) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID55111565
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C13H24N4S/c1-17-13(11(14)8-9-18-2)15-12(16-17)10-6-4-3-5-7-10/h10-11H,3-9,14H2,1-2H3
InChIKeyKCORLDXBORGZMV-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (CID 55111565) is 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nc(C2CCCCC2)nn1C.
What is the InChIKey of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is KCORLDXBORGZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-17-13(11(14)8-9-18-2)15-12(16-17)10-6-4-3-5-7-10/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 55111565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).