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Home > Other Heterocycles > 6726-49-4
6726-49-4 | 2,3-dimethyl-1,4,5,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
CAS No: 6726-49-4 Catalog No: AG00637K MDL No:
Product Description
Catalog Number:
AG00637K
Chemical Name:
2,3-dimethyl-1,4,5,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
CAS Number:
6726-49-4
Molecular Formula:
C7H8N4
Molecular Weight:
148.1652
IUPAC Name:
3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine
InChI:
InChI=1S/C7H8N4/c1-5-6(2)11-7(10-9-5)3-4-8-11/h3-4H,1-2H3
InChI Key:
JHCGJBGPFZGLDQ-UHFFFAOYSA-N
SMILES:
Cc1nnc2n(c1C)ncc2
NSC Number:
115526
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.169g/mol
Monoisotopic Mass:
148.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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