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21018-62-2 | 1H-Pyrazol-5-amine, 3-ethyl-1,4-dimethyl-
CAS No: 21018-62-2 Catalog No: AG002KMI MDL No:MFCD02245567
Product Description
Catalog Number:
AG002KMI
Chemical Name:
1H-Pyrazol-5-amine, 3-ethyl-1,4-dimethyl-
CAS Number:
21018-62-2
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
MDL Number:
MFCD02245567
IUPAC Name:
5-ethyl-2,4-dimethylpyrazol-3-amine
InChI:
InChI=1S/C7H13N3/c1-4-6-5(2)7(8)10(3)9-6/h4,8H2,1-3H3
InChI Key:
IIMVUQKZPSYYBD-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1C)N)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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