3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine

C8H17N5S2 — CID 28915819

IUPAC3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine
SMILESCCSCc1nnc(SCCCN)n1N
InChIInChI=1S/C8H17N5S2/c1-2-14-6-7-11-12-8(13(7)10)15-5-3-4-9/h2-6,9-10H2,1H3
InChIKeyRSUYGBUXSCPFSE-UHFFFAOYSA-N
MW247.39 g/mol
LogP0.69
Rot. Bonds7

About 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine

3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine (PubChem CID 28915819) has the molecular formula C8H17N5S2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine
PubChem CID28915819
Molecular FormulaC8H17N5S2
Molecular Weight247.39 g/mol
Exact Mass247.09
IUPAC Name3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine
SMILESCCSCc1nnc(SCCCN)n1N
InChIInChI=1S/C8H17N5S2/c1-2-14-6-7-11-12-8(13(7)10)15-5-3-4-9/h2-6,9-10H2,1H3
InChIKeyRSUYGBUXSCPFSE-UHFFFAOYSA-N
XLogP0.69
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropylsulfanyl)-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-4-amine
CID 28915821
3-(3-aminopropylsulfanyl)-5-butyl-1,2,4-triazol-4-amine
CID 28915797
3-(3-aminopropylsulfanyl)-5-(2-methylpropyl)-1,2,4-triazol-4-amine
CID 28915799
4-[3-[[4-amino-5-(propylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoic acid
CID 28916363
4-amino-3-(3-aminopropylsulfanyl)-1,2,4-triazin-5-one
CID 28915719
3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine
CID 28916016
3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 13361088
3-(2-aminoethylsulfanyl)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine
CID 28916028
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-amine
CID 951766
3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine
CID 92931154
3-(4-chlorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine
CID 19194729

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine (CID 28915819) is 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine is CCSCc1nnc(SCCCN)n1N.
What is the InChIKey of 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine?
The InChIKey is RSUYGBUXSCPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5S2/c1-2-14-6-7-11-12-8(13(7)10)15-5-3-4-9/h2-6,9-10H2,1H3.
What are the key properties of 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine?
3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine has a molecular weight of 247.39 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfanyl)-5-(ethylsulfanylmethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 28915819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).