Home Aminos 9-amino-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one hydrochloride

9-amino-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one hydrochloride

CAS No.:
2060050-98-6
Catalog Number:
AG01BRHA
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
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Product Description
Catalog Number:
AG01BRHA
Chemical Name:
9-amino-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one hydrochloride
CAS Number:
2060050-98-6
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
MDL Number:
MFCD30535724
IUPAC Name:
9-amino-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one;hydrochloride
InChI:
InChI=1S/C7H12N4O.ClH/c8-5-3-1-2-4-11-6(5)9-10-7(11)12;/h5H,1-4,8H2,(H,10,12);1H
InChI Key:
WAQUYUPIKUYORZ-UHFFFAOYSA-N
SMILES:
NC1CCCCn2c1n[nH]c2=O.Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.078g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.658g/mol
Monoisotopic Mass:
204.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties