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1286279-33-1 | Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 7-(1,1-dimethylethyl)-
CAS No: 1286279-33-1 Catalog No: AG000Y8M MDL No:MFCD11847607
Product Description
Catalog Number:
AG000Y8M
Chemical Name:
Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 7-(1,1-dimethylethyl)-
CAS Number:
1286279-33-1
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
MDL Number:
MFCD11847607
IUPAC Name:
7-tert-butyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
InChI:
InChI=1S/C9H12N4O/c1-9(2,3)6-4-7-10-5-11-8(14)13(7)12-6/h4-5H,1-3H3,(H,10,11,14)
InChI Key:
TWIRTOOIBISMKQ-UHFFFAOYSA-N
SMILES:
CC(c1cc2n(n1)c(=O)[nH]cn2)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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