Home Aminos 3-amino-1-[(1,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one hydrochloride

3-amino-1-[(1,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one hydrochloride

CAS No.:
2137539-84-3
Catalog Number:
AG01EJOE
Molecular Formula:
C11H20ClN5O2
Molecular Weight:
289.7618
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Product Description
Catalog Number:
AG01EJOE
Chemical Name:
3-amino-1-[(1,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one hydrochloride
CAS Number:
2137539-84-3
Molecular Formula:
C11H20ClN5O2
Molecular Weight:
289.7618
MDL Number:
MFCD31629004
IUPAC Name:
3-amino-1-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)methyl]azepan-2-one;hydrochloride
InChI:
InChI=1S/C11H19N5O2.ClH/c1-14-9(13-15(2)11(14)18)7-16-6-4-3-5-8(12)10(16)17;/h8H,3-7,12H2,1-2H3;1H
InChI Key:
AZOHOAWIEQAEBX-UHFFFAOYSA-N
SMILES:
O=C1C(N)CCCCN1Cc1nn(c(=O)n1C)C.Cl
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.764g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties