Basic information
- Standard SMILES
O=c1[nH]ncn1C1CCNCC1- InChIKey
PDFCBDCBZDXJTE-UHFFFAOYSA-N- Molecular formula
- C7H12N4O
- Average molar mass
- 168.2 g/mol
- Monoisotopic mass
- 168.10111102
Names & identifiers
- Preferred name
- 2,4-Dihydro-4-(4-piperidinyl)-3H-1,2,4-triazol-3-one
- IUPAC
- 4-piperidin-4-yl-1H-1,2,4-triazol-5-one
Names & synonyms
803736-70-12,4-Dihydro-4-(4-piperidinyl)-3H-1,2,4-triazol-3-one4-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-oneSCHEMBL3074625PDFCBDCBZDXJTE-UHFFFAOYSA-NAKOS023411918DB-292248EN300-1931792,4-dihydro-4(4-piperidinyl)-3H-1,2,4-triazol-3-one4-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 68502202
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Related reactions
4 records
Compound notes
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