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

1-(4H-1,2,4-triazol-3-yl)cyclobutan-1-ol

CAS No.:
2138532-34-8
Catalog Number:
AG01EMPE
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
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Product Description
Catalog Number:
AG01EMPE
Chemical Name:
1-(4H-1,2,4-triazol-3-yl)cyclobutan-1-ol
CAS Number:
2138532-34-8
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD31558973
IUPAC Name:
1-(1H-1,2,4-triazol-5-yl)cyclobutan-1-ol
InChI:
InChI=1S/C6H9N3O/c10-6(2-1-3-6)5-7-4-8-9-5/h4,10H,1-3H2,(H,7,8,9)
InChI Key:
GOCYGAONCHDJRX-UHFFFAOYSA-N
SMILES:
OC1(CCC1)c1[nH]cnn1
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties