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3-nitro-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

3-nitro-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

CAS: 148777-84-8

Formula: C6H8N4O2

SMILES: [O-][N+](=O)C1=C2NCCCN2N=C1

IUPAC: 3-nitro-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

InChI: InChI=1S/C6H8N4O2/c11-10(12)5-4-8-9-3-1-2-7-6(5)9/h4,7H,1-3H2

Composition: C (42.86%), H (4.80%), N (33.32%), O (19.03%)

Molar Mass: 168.156

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.064725514
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NRYKSXYBFPTTGH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.63
Topological Polar Surface Area 72.99
Polarizability 15
Ring Count 2
Rotatable Bond Count 1

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