Home Other Building Blocks 3-ethyl-4-methyl-4H-1,2,4-triazole

3-ethyl-4-methyl-4H-1,2,4-triazole

CAS No.:
1034197-72-2
Catalog Number:
AG01A93E
Molecular Formula:
C5H9N3
Molecular Weight:
111.1451
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Product Description
Catalog Number:
AG01A93E
Chemical Name:
3-ethyl-4-methyl-4H-1,2,4-triazole
CAS Number:
1034197-72-2
Molecular Formula:
C5H9N3
Molecular Weight:
111.1451
MDL Number:
MFCD16622035
IUPAC Name:
3-ethyl-4-methyl-1,2,4-triazole
InChI:
InChI=1S/C5H9N3/c1-3-5-7-6-4-8(5)2/h4H,3H2,1-2H3
InChI Key:
FLPWYJGTTKUYRV-UHFFFAOYSA-N
SMILES:
CCc1nncn1C
Properties
Complexity:
74.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.08g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.148g/mol
Monoisotopic Mass:
111.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties