1-Hex-1-en-2-yl-4,5-dihydrotriazole
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Basic information
- CAS
78827-49-3- Standard SMILES
C=C(CCCC)N1CCN=N1- InChIKey
MECDYILSXWMFIS-UHFFFAOYSA-N- Molecular formula
- C8H15N3
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.12659749
Names & identifiers
- Preferred name
- 1-Hex-1-en-2-yl-4,5-dihydrotriazole
- IUPAC
- 1-hex-1-en-2-yl-4,5-dihydrotriazole
Names & synonyms
78827-49-31-hex-1-en-2-yl-4,5-dihydrotriazoleNSC339717DTXSID60319100NSC-339717DS-0028481-(Hex-1-en-2-yl)-4,5-dihydro-1H-1,2,3-triazole1H-1,2,3-triazole,4,5-dihydro-1-(1-methylenepentyl)-
Database identifiers
- CAS
78827-49-3- PubChem CID
- 334480
- DTXSID
DTXSID60319100
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
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Compound notes
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