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

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

CAS No.:
1489220-54-3
Catalog Number:
AG01AC1K
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
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Product Description
Catalog Number:
AG01AC1K
Chemical Name:
cyclohexyl(4H-1,2,4-triazol-3-yl)methanol
CAS Number:
1489220-54-3
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD21194736
IUPAC Name:
cyclohexyl(1H-1,2,4-triazol-5-yl)methanol
InChI:
InChI=1S/C9H15N3O/c13-8(9-10-6-11-12-9)7-4-2-1-3-5-7/h6-8,13H,1-5H2,(H,10,11,12)
InChI Key:
NDIIGSHIEZHMCB-UHFFFAOYSA-N
SMILES:
OC(c1[nH]cnn1)C1CCCCC1
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:
2  
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties