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

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

CAS No.:
1803598-89-1
Catalog Number:
AG01BAO0
Molecular Formula:
C5H8ClN5
Molecular Weight:
173.6035
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Product Description
Catalog Number:
AG01BAO0
Chemical Name:
1-(2-aminoethyl)-1H-1,2,4-triazole-3-carbonitrile hydrochloride
CAS Number:
1803598-89-1
Molecular Formula:
C5H8ClN5
Molecular Weight:
173.6035
MDL Number:
MFCD28397699
IUPAC Name:
1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C5H7N5.ClH/c6-1-2-10-4-8-5(3-7)9-10;/h4H,1-2,6H2;1H
InChI Key:
PPXFKEMXUKZDTR-UHFFFAOYSA-N
SMILES:
NCCn1cnc(n1)C#N.Cl
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.047g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.604g/mol
Monoisotopic Mass:
173.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties