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4-[2-(3,5-diamino-1H-pyrazol-4-yl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one

4-[2-(3,5-diamino-1H-pyrazol-4-yl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one

CAS: 140651-18-9

Formula: C9H10N6O

SMILES: NC1=C(NN=C2C=CC(=O)C=C2)C(N)=NN1

IUPAC: 4-[2-(3,5-diamino-1H-pyrazol-4-yl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one

InChI: InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,13H,(H5,10,11,14,15)

Composition: C (49.54%), H (4.62%), N (38.51%), O (7.33%)

Molar Mass: 218.22

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.091608966
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey FHZNRKGCGRGLFC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.42
Topological Polar Surface Area 122.18
Polarizability 21.23
Ring Count 2
Rotatable Bond Count 2

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