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Home > Imidazoles > 85623-02-5
85623-02-5 | 3-benzyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
CAS No: 85623-02-5 Catalog No: AG01C5RD MDL No:MFCD27938904
Product Description
Catalog Number:
AG01C5RD
Chemical Name:
3-benzyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
CAS Number:
85623-02-5
Molecular Formula:
C12H10N6O2
Molecular Weight:
270.2468
MDL Number:
MFCD27938904
IUPAC Name:
3-benzyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
InChI:
InChI=1S/C12H10N6O2/c13-10(19)9-11-15-16-18(12(20)17(11)7-14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,19)
InChI Key:
LNPSWLFCAODLDZ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncn2c1nnn(c2=O)Cc1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.252g/mol
Monoisotopic Mass:
270.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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