3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

C7H12N4OS — CID 4257341

IUPAC3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(SCC2CCCO2)n[nH]1
InChIInChI=1S/C7H12N4OS/c8-6-9-7(11-10-6)13-4-5-2-1-3-12-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeyPIHSJVAQUCAAAR-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.66
Rot. Bonds3

About 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (PubChem CID 4257341) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
PubChem CID4257341
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(SCC2CCCO2)n[nH]1
InChIInChI=1S/C7H12N4OS/c8-6-9-7(11-10-6)13-4-5-2-1-3-12-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeyPIHSJVAQUCAAAR-UHFFFAOYSA-N
XLogP0.66
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine 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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2200753
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758
3-[[(2R)-oxolan-2-yl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 94192131
5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62300459
5-(4-chlorophenyl)-3-(oxan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 47096485
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone
CID 5224792
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 2653821
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (CID 4257341) is 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is Nc1nc(SCC2CCCO2)n[nH]1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is PIHSJVAQUCAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-6-9-7(11-10-6)13-4-5-2-1-3-12-5/h5H,1-4H2,(H3,8,9,10,11).
What are the key properties of 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 200.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 4257341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).