1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

C15H22N4S — CID 15434319

IUPAC1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCSc1nnc(C(N)CC(C)C)n1Cc1ccccc1
InChIInChI=1S/C15H22N4S/c1-11(2)9-13(16)14-17-18-15(20-3)19(14)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10,16H2,1-3H3
InChIKeyFPEJDIJOTRQWQF-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (PubChem CID 15434319) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
PubChem CID15434319
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCSc1nnc(C(N)CC(C)C)n1Cc1ccccc1
InChIInChI=1S/C15H22N4S/c1-11(2)9-13(16)14-17-18-15(20-3)19(14)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10,16H2,1-3H3
InChIKeyFPEJDIJOTRQWQF-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine 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

1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
CID 23828521
1-[4-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine
CID 23883385
3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 61360765
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
1-benzyl-5-methyl-2-methylsulfanylimidazole
CID 58970640
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
3-benzylsulfanyl-4-ethyl-5-propan-2-yl-1,2,4-triazole
CID 28564028
[(1R)-1-[5-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-4-benzyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium
CID 7252607
2-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 23823415
(2R)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2530376
4-benzyl-3-methyl-5-(1-phenylethylsulfanyl)-1,2,4-triazole
CID 78764056
1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
CID 175232224

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (CID 15434319) is 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine is CSc1nnc(C(N)CC(C)C)n1Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The InChIKey is FPEJDIJOTRQWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11(2)9-13(16)14-17-18-15(20-3)19(14)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10,16H2,1-3H3.
What are the key properties of 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 15434319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).