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90085-12-4 | "N,N,1-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine"
CAS No: 90085-12-4 Catalog No: AG01FPA1 MDL No:MFCD05938808
Product Description
Catalog Number:
AG01FPA1
Chemical Name:
"N,N,1-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine"
CAS Number:
90085-12-4
Molecular Formula:
C8H11N5
Molecular Weight:
177.2064
MDL Number:
MFCD05938808
IUPAC Name:
N,N,1-trimethylpyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C8H11N5/c1-12(2)7-6-4-11-13(3)8(6)10-5-9-7/h4-5H,1-3H3
InChI Key:
QWNBAYXVUGENHL-UHFFFAOYSA-N
SMILES:
CN(c1ncnc2c1cnn2C)C
NSC Number:
1453
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.211g/mol
Monoisotopic Mass:
177.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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