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89098-94-2 | Tetrazolo[5,1-b]quinazolin-9(4H)-one, 4-methyl-
CAS No: 89098-94-2 Catalog No: AG003YKB MDL No:
Product Description
Catalog Number:
AG003YKB
Chemical Name:
Tetrazolo[5,1-b]quinazolin-9(4H)-one, 4-methyl-
CAS Number:
89098-94-2
Molecular Formula:
C9H7N5O
Molecular Weight:
201.1848
IUPAC Name:
4-methyltetrazolo[5,1-b]quinazolin-9-one
InChI:
InChI=1S/C9H7N5O/c1-13-7-5-3-2-4-6(7)8(15)14-9(13)10-11-12-14/h2-5H,1H3
InChI Key:
WRWSHLUMRDFYGF-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2c(=O)n2c1nnn2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.189g/mol
Monoisotopic Mass:
201.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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