Basic information
- CAS
1001500-09-9- Standard SMILES
Cc1ccnn1Cc1n[nH]c(=S)n1C1CC1- InChIKey
RFPCPVALSXMPRU-UHFFFAOYSA-N- Molecular formula
- C10H13N5S
- Average molar mass
- 235.31 g/mol
- Monoisotopic mass
- 235.08916661
Names & identifiers
- Preferred name
- 4-Cyclopropyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-cyclopropyl-3-[(5-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Names & synonyms
1001500-09-94-Cyclopropyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol4-cyclopropyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol4-cyclopropyl-3-[(5-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione4-Cyclopropyl-5-(5-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiolMFCD04969181DTXSID401122601SBB021809STK313280AKOS000309378CS-0282018EN300-229373
Show more names
4-cyclopropyl-5-[(5-methylpyrazolyl)methyl]-1,2,4-triazole-3-thiol4-Cyclopropyl-2,4-dihydro-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-3H-1,2,4-triazole-3-thione4-Cyclopropyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
1001500-09-9- PubChem CID
- 7017490
- DTXSID
DTXSID401122601
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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