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

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

CAS No.:
1803561-58-1
Catalog Number:
AG01B95G
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
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Product Description
Catalog Number:
AG01B95G
Chemical Name:
5-(piperidin-3-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CAS Number:
1803561-58-1
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
MDL Number:
MFCD28348263
IUPAC Name:
3-piperidin-3-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
InChI:
InChI=1S/C7H12N4O.ClH/c12-7-9-6(10-11-7)5-2-1-3-8-4-5;/h5,8H,1-4H2,(H2,9,10,11,12);1H
InChI Key:
HPLZKIJWAKYNDH-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(n1)C1CCCNC1.Cl
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.078g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
204.658g/mol
Monoisotopic Mass:
204.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties