Home Other Building Blocks 3-(methoxymethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

3-(methoxymethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:
135302-10-2
Catalog Number:
AG01EMVT
Molecular Formula:
C5H9N3O2
Molecular Weight:
143.1439
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Product Description
Catalog Number:
AG01EMVT
Chemical Name:
3-(methoxymethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
135302-10-2
Molecular Formula:
C5H9N3O2
Molecular Weight:
143.1439
MDL Number:
MFCD31667211
IUPAC Name:
3-(methoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C5H9N3O2/c1-8-4(3-10-2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
InChI Key:
YBBVPJIMOYCTGM-UHFFFAOYSA-N
SMILES:
Cn1c(COC)n[nH]c1=O
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.146g/mol
Monoisotopic Mass:
143.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties