Home Other Building Blocks 4H,5H,6H,7H,8H-[1,2,3]triazolo[1,5-a][1,4]diazepine hydrochloride

4H,5H,6H,7H,8H-[1,2,3]triazolo[1,5-a][1,4]diazepine hydrochloride

CAS No.:
1781610-84-1
Catalog Number:
AG01BD3E
Molecular Formula:
C6H11ClN4
Molecular Weight:
174.6313
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Product Description
Catalog Number:
AG01BD3E
Chemical Name:
4H,5H,6H,7H,8H-[1,2,3]triazolo[1,5-a][1,4]diazepine hydrochloride
CAS Number:
1781610-84-1
Molecular Formula:
C6H11ClN4
Molecular Weight:
174.6313
MDL Number:
MFCD28012397
IUPAC Name:
5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine;hydrochloride
InChI:
InChI=1S/C6H10N4.ClH/c1-2-7-4-6-5-8-9-10(6)3-1;/h5,7H,1-4H2;1H
InChI Key:
NTMBQBDPMBOWLX-UHFFFAOYSA-N
SMILES:
C1NCc2n(CC1)nnc2.Cl
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.632g/mol
Monoisotopic Mass:
174.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties