4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine

C8H16N4O2S2 — CID 106725597

IUPAC4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCC(C)S(=O)(=O)CCSc1nnc(N)n1C
InChIInChI=1S/C8H16N4O2S2/c1-6(2)16(13,14)5-4-15-8-11-10-7(9)12(8)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyPBFOKPFWSUDFKS-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.31
Rot. Bonds5

About 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine

4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine (PubChem CID 106725597) has the molecular formula C8H16N4O2S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine
PubChem CID106725597
Molecular FormulaC8H16N4O2S2
Molecular Weight264.38 g/mol
Exact Mass264.07
IUPAC Name4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCC(C)S(=O)(=O)CCSc1nnc(N)n1C
InChIInChI=1S/C8H16N4O2S2/c1-6(2)16(13,14)5-4-15-8-11-10-7(9)12(8)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyPBFOKPFWSUDFKS-UHFFFAOYSA-N
XLogP0.31
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine
CID 55136786
[4-ethyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 106725606
4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine
CID 115650969
4-methyl-5-[2-(3-methylbutoxy)ethylsulfanyl]-1,2,4-triazol-3-amine
CID 61484675
4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,2,4-triazol-3-amine
CID 64565681
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid
CID 61468082
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
2-amino-3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 65442021
4-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 61468859
4-(2-propan-2-ylsulfonylethylsulfanyl)aniline
CID 106725571
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 47158239
4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,2,4-triazol-3-amine
CID 61490402

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine (CID 106725597) is 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine is CC(C)S(=O)(=O)CCSc1nnc(N)n1C.
What is the InChIKey of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine?
The InChIKey is PBFOKPFWSUDFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S2/c1-6(2)16(13,14)5-4-15-8-11-10-7(9)12(8)3/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine?
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine has a molecular weight of 264.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 106725597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).