Home Other Building Blocks (4-cyclohexyl-4H-1,2,4-triazol-3-yl)methanol

(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methanol

CAS No.:
1521105-52-1
Catalog Number:
AG01DJ5T
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
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Product Description
Catalog Number:
AG01DJ5T
Chemical Name:
(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methanol
CAS Number:
1521105-52-1
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD24143539
IUPAC Name:
(4-cyclohexyl-1,2,4-triazol-3-yl)methanol
InChI:
InChI=1S/C9H15N3O/c13-6-9-11-10-7-12(9)8-4-2-1-3-5-8/h7-8,13H,1-6H2
InChI Key:
RTCFJNPSGZAISI-UHFFFAOYSA-N
SMILES:
OCc1nncn1C1CCCCC1
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties