Home Other Building Blocks 1H-1,2,4-Triazole, 5-propyl-

1H-1,2,4-Triazole, 5-propyl-

CAS No.:
19932-60-6
Catalog Number:
AG002C1F
Molecular Formula:
C5H9N3
Molecular Weight:
111.1451
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Product Description
Catalog Number:
AG002C1F
Chemical Name:
1H-1,2,4-Triazole, 5-propyl-
CAS Number:
19932-60-6
Molecular Formula:
C5H9N3
Molecular Weight:
111.1451
MDL Number:
MFCD14628046
IUPAC Name:
5-propyl-1H-1,2,4-triazole
InChI:
InChI=1S/C5H9N3/c1-2-3-5-6-4-7-8-5/h4H,2-3H2,1H3,(H,6,7,8)
InChI Key:
ZFWJVKLPEZPKNL-UHFFFAOYSA-N
SMILES:
CCCc1ncn[nH]1
Properties
Complexity:
64.7  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
111.148g/mol
Monoisotopic Mass:
111.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties