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21041-86-1 | 1H-1,2,4-Triazole, 5-azido-3-methyl-
CAS No: 21041-86-1 Catalog No: AG002KSB MDL No:
Product Description
Catalog Number:
AG002KSB
Chemical Name:
1H-1,2,4-Triazole, 5-azido-3-methyl-
CAS Number:
21041-86-1
Molecular Formula:
C3H4N6
Molecular Weight:
124.1041
IUPAC Name:
5-azido-3-methyl-1H-1,2,4-triazole
InChI:
InChI=1S/C3H4N6/c1-2-5-3(7-6-2)8-9-4/h1H3,(H,5,6,7)
InChI Key:
WGPFYYUKVIIOOX-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1nc(n[nH]1)C
NSC Number:
207093
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.107g/mol
Monoisotopic Mass:
124.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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