[4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

C15H20N4OS — CID 121494237

IUPAC[4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(SCC2CCOC2)n1Cc1ccccc1
InChIInChI=1S/C15H20N4OS/c16-8-14-17-18-15(21-11-13-6-7-20-10-13)19(14)9-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2
InChIKeyGDYNIAVKIXXPPK-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.91
Rot. Bonds6

About [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

[4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 121494237) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID121494237
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(SCC2CCOC2)n1Cc1ccccc1
InChIInChI=1S/C15H20N4OS/c16-8-14-17-18-15(21-11-13-6-7-20-10-13)19(14)9-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2
InChIKeyGDYNIAVKIXXPPK-UHFFFAOYSA-N
XLogP1.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine 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

[4-benzyl-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154904058
2-[3-methyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 65294691
[4-benzyl-5-[2-(2,2-difluorocyclopropyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154904592
(2R)-1-[[5-(aminomethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-ol
CID 126436952
[4-benzyl-5-[(5-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 121495837
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313730
N-[[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-cyclopentylacetamide
CID 45205906
4-benzyl-3-(2-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole
CID 5228788
[4-benzyl-5-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;dihydrochloride
CID 154905557
4-benzyl-3-[[(2S)-5,5-dimethyloxolan-2-yl]methylsulfanyl]-5-methyl-1,2,4-triazole
CID 124743751
4-[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(4-chlorophenyl)methyl]piperidine
CID 45230266
4-benzyl-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 33016041

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (CID 121494237) is [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is NCc1nnc(SCC2CCOC2)n1Cc1ccccc1.
What is the InChIKey of [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GDYNIAVKIXXPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-8-14-17-18-15(21-11-13-6-7-20-10-13)19(14)9-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2.
What are the key properties of [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
[4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 304.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 121494237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).