Home Other Building Blocks 1-cyclopropyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

1-cyclopropyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

CAS No.:
86518-82-3
Catalog Number:
AG01BGBE
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
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Product Description
Catalog Number:
AG01BGBE
Chemical Name:
1-cyclopropyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
CAS Number:
86518-82-3
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
MDL Number:
MFCD19605422
IUPAC Name:
1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanone
InChI:
InChI=1S/C7H9N3O/c11-7(6-1-2-6)3-10-5-8-4-9-10/h4-6H,1-3H2
InChI Key:
SLKDCPYGPROWEC-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Cn1ncnc1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties