Home Other Building Blocks 4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

CAS No.:
1394040-45-9
Catalog Number:
AG01A04B
Molecular Formula:
C9H17ClN4O
Molecular Weight:
232.7105
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Product Description
Catalog Number:
AG01A04B
Chemical Name:
4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CAS Number:
1394040-45-9
Molecular Formula:
C9H17ClN4O
Molecular Weight:
232.7105
MDL Number:
MFCD22378616
IUPAC Name:
4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
InChI:
InChI=1S/C9H16N4O.ClH/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3,(H,12,14);1H
InChI Key:
IUKGAAZJCIHUOH-UHFFFAOYSA-N
SMILES:
CCn1c(n[nH]c1=O)C1CCNCC1.Cl
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.109g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
232.712g/mol
Monoisotopic Mass:
232.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties