hydrazine;bis((3-nitrophenyl)hydrazine);hydrate

C12H20N8O5 — CID 158997537

IUPAChydrazine;bis((3-nitrophenyl)hydrazine);hydrate
SMILESNN.NNc1cccc([N+](=O)[O-])c1.NNc1cccc([N+](=O)[O-])c1.O
InChIInChI=1S/2C6H7N3O2.H4N2.H2O/c2*7-8-5-2-1-3-6(4-5)9(10)11;1-2;/h2*1-4,8H,7H2;1-2H2;1H2
InChIKeyKGEGXEJYSFGVMV-UHFFFAOYSA-N
MW356.34 g/mol
LogP-0.25
Rot. Bonds4

About hydrazine;bis((3-nitrophenyl)hydrazine);hydrate

hydrazine;bis((3-nitrophenyl)hydrazine);hydrate (PubChem CID 158997537) has the molecular formula C12H20N8O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is hydrazine;bis((3-nitrophenyl)hydrazine);hydrate.

Molecular Properties

Compound Namehydrazine;bis((3-nitrophenyl)hydrazine);hydrate
PubChem CID158997537
Molecular FormulaC12H20N8O5
Molecular Weight356.34 g/mol
Exact Mass356.16
IUPAC Namehydrazine;bis((3-nitrophenyl)hydrazine);hydrate
SMILESNN.NNc1cccc([N+](=O)[O-])c1.NNc1cccc([N+](=O)[O-])c1.O
InChIInChI=1S/2C6H7N3O2.H4N2.H2O/c2*7-8-5-2-1-3-6(4-5)9(10)11;1-2;/h2*1-4,8H,7H2;1-2H2;1H2
InChIKeyKGEGXEJYSFGVMV-UHFFFAOYSA-N
XLogP-0.25
TPSA245.92 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

carbonyl dicyanide;(3-nitrophenyl)hydrazine
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CID 58015538
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CID 89107790
ethane;N-(3-nitrophenyl)acetamide
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hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate
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1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
3-(3-nitroanilino)propanamide
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Frequently Asked Questions

What is the IUPAC name of hydrazine;bis((3-nitrophenyl)hydrazine);hydrate?
The IUPAC name of hydrazine;bis((3-nitrophenyl)hydrazine);hydrate (CID 158997537) is hydrazine;bis((3-nitrophenyl)hydrazine);hydrate.
What is the SMILES notation for hydrazine;bis((3-nitrophenyl)hydrazine);hydrate?
The canonical SMILES for hydrazine;bis((3-nitrophenyl)hydrazine);hydrate is NN.NNc1cccc([N+](=O)[O-])c1.NNc1cccc([N+](=O)[O-])c1.O.
What is the InChIKey of hydrazine;bis((3-nitrophenyl)hydrazine);hydrate?
The InChIKey is KGEGXEJYSFGVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N3O2.H4N2.H2O/c2*7-8-5-2-1-3-6(4-5)9(10)11;1-2;/h2*1-4,8H,7H2;1-2H2;1H2.
What are the key properties of hydrazine;bis((3-nitrophenyl)hydrazine);hydrate?
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate has a molecular weight of 356.34 g/mol, XLogP of -0.25, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;bis((3-nitrophenyl)hydrazine);hydrate is sourced from PubChem (CID 158997537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).