Home Nitriles 1-(piperidin-4-yl)-1H-1,2,4-triazole-3-carbonitrile hydrochloride

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

CAS No.:
1803590-38-6
Catalog Number:
AG01BFSW
Molecular Formula:
C8H12ClN5
Molecular Weight:
213.6674
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Product Description
Catalog Number:
AG01BFSW
Chemical Name:
1-(piperidin-4-yl)-1H-1,2,4-triazole-3-carbonitrile hydrochloride
CAS Number:
1803590-38-6
Molecular Formula:
C8H12ClN5
Molecular Weight:
213.6674
MDL Number:
MFCD28125029
IUPAC Name:
1-piperidin-4-yl-1,2,4-triazole-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C8H11N5.ClH/c9-5-8-11-6-13(12-8)7-1-3-10-4-2-7;/h6-7,10H,1-4H2;1H
InChI Key:
TVCIOQUMVAOUOU-UHFFFAOYSA-N
SMILES:
N#Cc1ncn(n1)C1CCNCC1.Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.078g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.669g/mol
Monoisotopic Mass:
213.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties