Home Aminos 5-(3-aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride

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

CAS No.:
1354953-84-6
Catalog Number:
AG019T7B
Molecular Formula:
C5H11ClN4O
Molecular Weight:
178.6200
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Product Description
Catalog Number:
AG019T7B
Chemical Name:
5-(3-aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CAS Number:
1354953-84-6
Molecular Formula:
C5H11ClN4O
Molecular Weight:
178.6200
MDL Number:
MFCD20731235
IUPAC Name:
3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
InChI:
InChI=1S/C5H10N4O.ClH/c6-3-1-2-4-7-5(10)9-8-4;/h1-3,6H2,(H2,7,8,9,10);1H
InChI Key:
YRNVPDJVDXWIHL-UHFFFAOYSA-N
SMILES:
NCCCc1nc(=O)[nH][nH]1.Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.062g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
178.62g/mol
Monoisotopic Mass:
178.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties