Home Other Building Blocks (dimethyl-1H-1,2,3-triazol-5-yl)methanol

(dimethyl-1H-1,2,3-triazol-5-yl)methanol

CAS No.:
1823967-14-1
Catalog Number:
AG01DZ2M
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
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Product Description
Catalog Number:
AG01DZ2M
Chemical Name:
(dimethyl-1H-1,2,3-triazol-5-yl)methanol
CAS Number:
1823967-14-1
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
MDL Number:
MFCD26518697
IUPAC Name:
(3,5-dimethyltriazol-4-yl)methanol
InChI:
InChI=1S/C5H9N3O/c1-4-5(3-9)8(2)7-6-4/h9H,3H2,1-2H3
InChI Key:
QVDPIHKJPWCHTP-UHFFFAOYSA-N
SMILES:
OCc1c(C)nnn1C
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:
1  
Isotope Atom Count:
0
Molecular Weight:
127.147g/mol
Monoisotopic Mass:
127.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties