(NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine

C12H11N5O2 — CID 135400549

IUPAC(NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine
SMILESO/N=C1\CCc2nonc2\C1=N/Nc1ccccc1
InChIInChI=1S/C12H11N5O2/c18-15-9-6-7-10-12(17-19-16-10)11(9)14-13-8-4-2-1-3-5-8/h1-5,13,18H,6-7H2/b14-11-,15-9+
InChIKeyGFLIUWMYRGYJFD-UFRGALIOSA-N
MW257.25 g/mol
LogP1.66
Rot. Bonds2

About (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine

(NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine (PubChem CID 135400549) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine
PubChem CID135400549
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name(NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine
SMILESO/N=C1\CCc2nonc2\C1=N/Nc1ccccc1
InChIInChI=1S/C12H11N5O2/c18-15-9-6-7-10-12(17-19-16-10)11(9)14-13-8-4-2-1-3-5-8/h1-5,13,18H,6-7H2/b14-11-,15-9+
InChIKeyGFLIUWMYRGYJFD-UFRGALIOSA-N
XLogP1.66
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine (CID 135400549) is (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine is O/N=C1\CCc2nonc2\C1=N/Nc1ccccc1.
What is the InChIKey of (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine?
The InChIKey is GFLIUWMYRGYJFD-UFRGALIOSA-N. The full InChI is InChI=1S/C12H11N5O2/c18-15-9-6-7-10-12(17-19-16-10)11(9)14-13-8-4-2-1-3-5-8/h1-5,13,18H,6-7H2/b14-11-,15-9+.
What are the key properties of (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine?
(NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine has a molecular weight of 257.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine is sourced from PubChem (CID 135400549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).