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

C7H14N4S2 — CID 115650969

IUPAC4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine
SMILESCSCCCSc1nnc(N)n1C
InChIInChI=1S/C7H14N4S2/c1-11-6(8)9-10-7(11)13-5-3-4-12-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyKMCJMGHXBBKSLD-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.24
Rot. Bonds5

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

4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine (PubChem CID 115650969) has the molecular formula C7H14N4S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine
PubChem CID115650969
Molecular FormulaC7H14N4S2
Molecular Weight218.35 g/mol
Exact Mass218.07
IUPAC Name4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine
SMILESCSCCCSc1nnc(N)n1C
InChIInChI=1S/C7H14N4S2/c1-11-6(8)9-10-7(11)13-5-3-4-12-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyKMCJMGHXBBKSLD-UHFFFAOYSA-N
XLogP1.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(4-aminophenyl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 113384435
4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,2,4-triazol-3-amine
CID 64565681
4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine
CID 55136786
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine
CID 106725597
4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,2,4-triazol-3-amine
CID 61490402
4-methyl-5-[2-(3-methylbutoxy)ethylsulfanyl]-1,2,4-triazol-3-amine
CID 61484675
4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-amine
CID 60733066
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 47158239
5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 47158236
4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine
CID 61468339
2-amino-3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 65442021
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperazin-1-ylpropan-1-one
CID 62545046

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine (CID 115650969) is 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine is CSCCCSc1nnc(N)n1C.
What is the InChIKey of 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine?
The InChIKey is KMCJMGHXBBKSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S2/c1-11-6(8)9-10-7(11)13-5-3-4-12-2/h3-5H2,1-2H3,(H2,8,9).
What are the key properties of 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine?
4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine has a molecular weight of 218.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 115650969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).