bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate

C16H34N12O13S2 — CID 71587248

IUPACbis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate
SMILESNNc1nnc(NN)c2ccccc12.NNc1nnc(NN)c2ccccc12.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2C8H10N6.2H2O4S.5H2O/c2*9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;2*1-5(2,3)4;;;;;/h2*1-4H,9-10H2,(H,11,13)(H,12,14);2*(H2,1,2,3,4);5*1H2
InChIKeyJOPVPUGEMVRMOY-UHFFFAOYSA-N
MW666.65 g/mol
LogP-5.03
Rot. Bonds4

About bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate

bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate (PubChem CID 71587248) has the molecular formula C16H34N12O13S2 and a molecular weight of 666.65 g/mol. Its IUPAC name is bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate.

Molecular Properties

Compound Namebis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate
PubChem CID71587248
Molecular FormulaC16H34N12O13S2
Molecular Weight666.65 g/mol
Exact Mass666.18
IUPAC Namebis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate
SMILESNNc1nnc(NN)c2ccccc12.NNc1nnc(NN)c2ccccc12.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2C8H10N6.2H2O4S.5H2O/c2*9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;2*1-5(2,3)4;;;;;/h2*1-4H,9-10H2,(H,11,13)(H,12,14);2*(H2,1,2,3,4);5*1H2
InChIKeyJOPVPUGEMVRMOY-UHFFFAOYSA-N
XLogP-5.03
TPSA510.46 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500666.65
LogP ≤ 5-5.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate?
The IUPAC name of bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate (CID 71587248) is bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate.
What is the SMILES notation for bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate?
The canonical SMILES for bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate is NNc1nnc(NN)c2ccccc12.NNc1nnc(NN)c2ccccc12.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate?
The InChIKey is JOPVPUGEMVRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N6.2H2O4S.5H2O/c2*9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;2*1-5(2,3)4;;;;;/h2*1-4H,9-10H2,(H,11,13)(H,12,14);2*(H2,1,2,3,4);5*1H2.
What are the key properties of bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate?
bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate has a molecular weight of 666.65 g/mol, XLogP of -5.03, 4 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-hydrazinylphthalazin-1-yl)hydrazine);sulfuric acid;pentahydrate is sourced from PubChem (CID 71587248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).