3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine

C8H14N8OS2 — CID 6917260

IUPAC3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(SCCOCCSc2n[nH]c(N)n2)n[nH]1
InChIInChI=1S/C8H14N8OS2/c9-5-11-7(15-13-5)18-3-1-17-2-4-19-8-12-6(10)14-16-8/h1-4H2,(H3,9,11,13,15)(H3,10,12,14,16)
InChIKeyRXCVITIERPJZFV-UHFFFAOYSA-N
MW302.39 g/mol
LogP-0.01
Rot. Bonds8

About 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine

3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine (PubChem CID 6917260) has the molecular formula C8H14N8OS2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine
PubChem CID6917260
Molecular FormulaC8H14N8OS2
Molecular Weight302.39 g/mol
Exact Mass302.07
IUPAC Name3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(SCCOCCSc2n[nH]c(N)n2)n[nH]1
InChIInChI=1S/C8H14N8OS2/c9-5-11-7(15-13-5)18-3-1-17-2-4-19-8-12-6(10)14-16-8/h1-4H2,(H3,9,11,13,15)(H3,10,12,14,16)
InChIKeyRXCVITIERPJZFV-UHFFFAOYSA-N
XLogP-0.01
TPSA144.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine with MolForge

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Related Compounds

3-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 4849812
3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 132554513
3-(3,3-diethoxypropylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 81094533
3-[3-(3,4-dimethylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 39063504
3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 131219759
potassium (5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl-trifluoroboranuide
CID 63704198
4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-methoxybenzonitrile
CID 122141849
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylpropanamide
CID 43213339
3-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 4854445
3-(1-amino-2-methylpropan-2-yl)sulfanyl-1H-1,2,4-triazol-5-amine
CID 82504387
2-[2-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]ethanol
CID 71999548
2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione
CID 7732303

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine (CID 6917260) is 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine is Nc1nc(SCCOCCSc2n[nH]c(N)n2)n[nH]1.
What is the InChIKey of 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is RXCVITIERPJZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8OS2/c9-5-11-7(15-13-5)18-3-1-17-2-4-19-8-12-6(10)14-16-8/h1-4H2,(H3,9,11,13,15)(H3,10,12,14,16).
What are the key properties of 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine?
3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 302.39 g/mol, XLogP of -0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethylsulfanyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 6917260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).