Home Carboxys 1-(piperidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride

1-(piperidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride

CAS No.:
1909326-32-4
Catalog Number:
AG01C4UQ
Molecular Formula:
C8H13ClN4O2
Molecular Weight:
232.6674
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Product Description
Catalog Number:
AG01C4UQ
Chemical Name:
1-(piperidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride
CAS Number:
1909326-32-4
Molecular Formula:
C8H13ClN4O2
Molecular Weight:
232.6674
MDL Number:
MFCD29907005
IUPAC Name:
1-piperidin-3-yltriazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H12N4O2.ClH/c13-8(14)7-5-12(11-10-7)6-2-1-3-9-4-6;/h5-6,9H,1-4H2,(H,13,14);1H
InChI Key:
AVYOAYJXXXRVQX-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)C1CCCNC1.Cl
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.073g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
232.668g/mol
Monoisotopic Mass:
232.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties