(5-Amino-1H-1,2,4-triazol-3-yl)(piperidin-1-yl)methanone
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Basic information
- CAS
294853-92-2- Standard SMILES
Nc1n[nH]c(C(=O)N2CCCCC2)n1- InChIKey
GBFIDLMZPKAFSI-UHFFFAOYSA-N- Molecular formula
- C8H13N5O
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.11201006
Names & identifiers
- Preferred name
- (5-Amino-1H-1,2,4-triazol-3-yl)(piperidin-1-yl)methanone
- IUPAC
- (3-amino-1H-1,2,4-triazol-5-yl)-piperidin-1-ylmethanone
- English name
- 3-(piperidin-1-ylcarbonyl)-1H-1,2,4-triazol-5-amine(SALTDATA: FREE)
- Molecular formula
- C8H13N5O
- Molecular weight
- 195.22
Names & synonyms
294853-92-2(5-Amino-1H-1,2,4-triazol-3-yl)(piperidin-1-yl)methanone3-(1-piperidinylcarbonyl)-1H-1,2,4-triazol-5-amineMFCD12827464(3-amino-1H-1,2,4-triazol-5-yl)-piperidin-1-ylmethanone(3-Amino-1H-1,2,4-triazol-5-yl)(piperidin-1-yl)methanone3-(PIPERIDIN-1-YLCARBONYL)-1H-1,2,4-TRIAZOL-5-AMINEOprea1_195494DTXSID40350314MFCD20502586AKOS012101973SB42621
Show more names
Methanone, (5-amino-1H-1,2,4-triazol-3-yl)-1-piperidinyl-3-(piperidin-1-ylcarbonyl)-1H-1,2,4-triazol-5-amine(SALTDATA: FREE)
BS-37568DB-347705F310011(3-amino-1H-1,2,4-triazol-5-yl)-(1-piperidyl)methanone
Database identifiers
- CAS
294853-92-2- PubChem CID
- 676549
- DTXSID
DTXSID40350314
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 438.4 · 438.4±28.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 10.37 · 10.37±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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