(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine

C14H20N4S — CID 131920819

IUPAC(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@@H](N)c1nc(C)nn1-c1ccccc1C
InChIInChI=1S/C14H20N4S/c1-10-6-4-5-7-13(10)18-14(16-11(2)17-18)12(15)8-9-19-3/h4-7,12H,8-9,15H2,1-3H3/t12-/m1/s1
InChIKeyFOEURDRBNAAXLF-GFCCVEGCSA-N
MW276.41 g/mol
LogP2.64
Rot. Bonds5

About (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine

(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine (PubChem CID 131920819) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
PubChem CID131920819
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@@H](N)c1nc(C)nn1-c1ccccc1C
InChIInChI=1S/C14H20N4S/c1-10-6-4-5-7-13(10)18-14(16-11(2)17-18)12(15)8-9-19-3/h4-7,12H,8-9,15H2,1-3H3/t12-/m1/s1
InChIKeyFOEURDRBNAAXLF-GFCCVEGCSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine (CID 131920819) is (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine is CSCC[C@@H](N)c1nc(C)nn1-c1ccccc1C.
What is the InChIKey of (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine?
The InChIKey is FOEURDRBNAAXLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-6-4-5-7-13(10)18-14(16-11(2)17-18)12(15)8-9-19-3/h4-7,12H,8-9,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine?
(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 131920819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).