Home Other Building Blocks 1-tert-butyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

1-tert-butyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:
58046-64-3
Catalog Number:
AG01A48P
Molecular Formula:
C7H13N3O
Molecular Weight:
155.1976
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Product Description
Catalog Number:
AG01A48P
Chemical Name:
1-tert-butyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
58046-64-3
Molecular Formula:
C7H13N3O
Molecular Weight:
155.1976
MDL Number:
MFCD24369101
IUPAC Name:
2-tert-butyl-5-methyl-4H-1,2,4-triazol-3-one
InChI:
InChI=1S/C7H13N3O/c1-5-8-6(11)10(9-5)7(2,3)4/h1-4H3,(H,8,9,11)
InChI Key:
LWMLMQNDIRTCOO-UHFFFAOYSA-N
SMILES:
Cc1nn(c(=O)[nH]1)C(C)(C)C
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.106g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.201g/mol
Monoisotopic Mass:
155.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties