4-Amino-5-[(1-naphthyloxy)methyl]-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
137266-17-2- Standard SMILES
Nn1c(COc2cccc3ccccc23)n[nH]c1=S- InChIKey
PBMMKPAPMUSRNO-UHFFFAOYSA-N- Molecular formula
- C13H12N4OS
- Average molar mass
- 272.33 g/mol
- Monoisotopic mass
- 272.07318219
Names & identifiers
- Preferred name
- 4-Amino-5-[(1-naphthyloxy)methyl]-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-amino-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione
Names & synonyms
137266-17-24-Amino-5-[(1-naphthyloxy)methyl]-4H-1,2,4-triazole-3-thiol4-Amino-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol4-amino-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-[(1-naphthalenyloxy)methyl]-DTXSID801141221AKOS0159600454-Amino-3-(1-naphthyloxymethyl)-1H-1,2,4-triazole-5(4H)-thione4-Amino-2,4-dihydro-5-[(1-naphthalenyloxy)methyl]-3H-1,2,4-triazole-3-thione4-Amino-5-{[(naphthalen-1-yl)oxy]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
137266-17-2- PubChem CID
- 15710751
- DTXSID
DTXSID801141221
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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