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114274-09-8 | 4H-1,2,4-Triazol-4-amine, N-cyclohexyl-
CAS No: 114274-09-8 Catalog No: AG000AXU MDL No:
Product Description
Catalog Number:
AG000AXU
Chemical Name:
4H-1,2,4-Triazol-4-amine, N-cyclohexyl-
CAS Number:
114274-09-8
Molecular Formula:
C8H14N4
Molecular Weight:
166.2236
IUPAC Name:
N-cyclohexyl-1,2,4-triazol-4-amine
InChI:
InChI=1S/C8H14N4/c1-2-4-8(5-3-1)11-12-6-9-10-7-12/h6-8,11H,1-5H2
InChI Key:
UAZRECDELXCIBS-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)Nn1cnnc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.122g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.228g/mol
Monoisotopic Mass:
166.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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