Home Other Building Blocks [4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methanol

[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methanol

CAS No.:
1549545-32-5
Catalog Number:
AG01APG5
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
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Product Description
Catalog Number:
AG01APG5
Chemical Name:
[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methanol
CAS Number:
1549545-32-5
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD23648625
IUPAC Name:
[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
InChI:
InChI=1S/C13H17N3O/c1-2-16-12(14-15-13(16)10-17)9-8-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChI Key:
QQALGVKZSZTDIT-UHFFFAOYSA-N
SMILES:
CCn1c(CCc2ccccc2)nnc1CO
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties