Home Other Building Blocks 1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]propan-2-ol

1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]propan-2-ol

CAS No.:
2060062-89-5
Catalog Number:
AG01BR4Z
Molecular Formula:
C8H15N3O
Molecular Weight:
169.2242
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Product Description
Catalog Number:
AG01BR4Z
Chemical Name:
1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]propan-2-ol
CAS Number:
2060062-89-5
Molecular Formula:
C8H15N3O
Molecular Weight:
169.2242
MDL Number:
MFCD30502230
IUPAC Name:
1-(1-propan-2-yltriazol-4-yl)propan-2-ol
InChI:
InChI=1S/C8H15N3O/c1-6(2)11-5-8(9-10-11)4-7(3)12/h5-7,12H,4H2,1-3H3
InChI Key:
JRACIMISJNKUEV-UHFFFAOYSA-N
SMILES:
CC(Cc1nnn(c1)C(C)C)O
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.122g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.228g/mol
Monoisotopic Mass:
169.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties