Home Aldehydes 1,5-dimethyl-1H-1,2,3-triazole-4-carbaldehyde

1,5-dimethyl-1H-1,2,3-triazole-4-carbaldehyde

CAS No.:
1083274-37-6
Catalog Number:
AG01EM7E
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
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Product Description
Catalog Number:
AG01EM7E
Chemical Name:
1,5-dimethyl-1H-1,2,3-triazole-4-carbaldehyde
CAS Number:
1083274-37-6
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD10700257
IUPAC Name:
1,5-dimethyltriazole-4-carbaldehyde
InChI:
InChI=1S/C5H7N3O/c1-4-5(3-9)6-7-8(4)2/h3H,1-2H3
InChI Key:
QABPKWJMGRCUIB-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1C)C
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties