3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole

C9H17N3O2S2 — CID 75434071

IUPAC3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1SCCS(C)(=O)=O
InChIInChI=1S/C9H17N3O2S2/c1-4-5-12-8(2)10-11-9(12)15-6-7-16(3,13)14/h4-7H2,1-3H3
InChIKeyFYSIUMVCEVJZQP-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.13
Rot. Bonds6

About 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole

3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole (PubChem CID 75434071) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole
PubChem CID75434071
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1SCCS(C)(=O)=O
InChIInChI=1S/C9H17N3O2S2/c1-4-5-12-8(2)10-11-9(12)15-6-7-16(3,13)14/h4-7H2,1-3H3
InChIKeyFYSIUMVCEVJZQP-UHFFFAOYSA-N
XLogP1.13
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole 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

3-(3-methylphenyl)-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole
CID 78778174
ethyl 2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 19716000
3-[2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylsulfonyl]propanamide
CID 65299404
3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
CID 66028474
2-[3-methyl-5-(2-propoxyethylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 106453357
2-[(5-methyl-4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 29074632
3-(furan-2-yl)-4-methyl-5-(2-methylsulfonylethylsulfanyl)-1,2,4-triazole
CID 47096849
methyl 3-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 65294608
2-[[4-[2-(methanesulfonamido)ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43546229
N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154906590
4-butyl-3-methyl-5-methylsulfanyl-1,2,4-triazole
CID 23459247
2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 19716003

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole (CID 75434071) is 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole is CCCn1c(C)nnc1SCCS(C)(=O)=O.
What is the InChIKey of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole?
The InChIKey is FYSIUMVCEVJZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-5-12-8(2)10-11-9(12)15-6-7-16(3,13)14/h4-7H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole?
3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole has a molecular weight of 263.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfonylethylsulfanyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 75434071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).