(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine

C10H10N4O2 — CID 136815583

IUPAC(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
SMILESO/N=C\C(/C=N\O)=N/N=C/c1ccccc1
InChIInChI=1S/C10H10N4O2/c15-12-7-10(8-13-16)14-11-6-9-4-2-1-3-5-9/h1-8,15-16H/b11-6+,12-7-,13-8-
InChIKeyBKRLUQZFRAVFBW-RIWOHVAGSA-N
MW218.22 g/mol
LogP1.38
Rot. Bonds4

About (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine

(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine (PubChem CID 136815583) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
PubChem CID136815583
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
SMILESO/N=C\C(/C=N\O)=N/N=C/c1ccccc1
InChIInChI=1S/C10H10N4O2/c15-12-7-10(8-13-16)14-11-6-9-4-2-1-3-5-9/h1-8,15-16H/b11-6+,12-7-,13-8-
InChIKeyBKRLUQZFRAVFBW-RIWOHVAGSA-N
XLogP1.38
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine (CID 136815583) is (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine is O/N=C\C(/C=N\O)=N/N=C/c1ccccc1.
What is the InChIKey of (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
The InChIKey is BKRLUQZFRAVFBW-RIWOHVAGSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-12-7-10(8-13-16)14-11-6-9-4-2-1-3-5-9/h1-8,15-16H/b11-6+,12-7-,13-8-.
What are the key properties of (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine has a molecular weight of 218.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine is sourced from PubChem (CID 136815583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).