ZINC04809719,ST008442,AG-690/11571551,IUPAC Name: 6-(4-nitropyrazol-1-

[Synonyms]
ZINC04809719
ST008442
AG-690/11571551

[Structure]

[ Properties Computed from Structure]

Molecular Weight	231.171 [g/mol]
Molecular Formula	C8H5N7O2
XLogP	-1
H-Bond Donor	0
H-Bond Acceptor	8
Rotatable Bond Count	1
Exact Mass	231.050472
MonoIsotopic Mass	231.050472
Topological Polar Surface Area	104
Heavy Atom Count	17
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: 6-(4-nitropyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
Canonical SMILES: C1=C(C=NC2=NC=NN21)N3C=C(C=N3)[N+](=O)[O-]
InChI: InChI=1/C8H5N7O2/c16-15(17)7-2-11-13(4-7)6-1-9-8-10-5-12-14(8)3-6/h1-5H