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

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

CAS No.:
1787942-06-6
Catalog Number:
AG01BGWX
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
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Product Description
Catalog Number:
AG01BGWX
Chemical Name:
5-(piperidin-4-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CAS Number:
1787942-06-6
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
IUPAC Name:
3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
InChI:
InChI=1S/C7H12N4O.ClH/c12-7-9-6(10-11-7)5-1-3-8-4-2-5;/h5,8H,1-4H2,(H2,9,10,11,12);1H
InChI Key:
IBEYESJKKLMWSZ-UHFFFAOYSA-N
SMILES:
O=c1nc([nH][nH]1)C1CCNCC1.Cl
Properties
Complexity:
219  
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:
0
Undefined Bond Stereocenter Count:
0
Properties