Home Other Building Blocks 1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol

1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol

CAS No.:
1247216-82-5
Catalog Number:
AG01A1NE
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
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Product Description
Catalog Number:
AG01A1NE
Chemical Name:
1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CAS Number:
1247216-82-5
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
MDL Number:
MFCD16090891
IUPAC Name:
1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol
InChI:
InChI=1S/C5H9N3O/c1-3(9)5-6-4(2)7-8-5/h3,9H,1-2H3,(H,6,7,8)
InChI Key:
WJWAGYYQNNIODS-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(n1)C(O)C
Properties
Complexity:
98.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.075g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
127.147g/mol
Monoisotopic Mass:
127.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties