(1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol

C14H14N4O2 — CID 177482224

IUPAC(1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol
SMILESN/N=C1\CC/C(=N\N)c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C14H14N4O2/c15-17-9-5-6-10(18-16)12-11(9)13(19)7-3-1-2-4-8(7)14(12)20/h1-4,19-20H,5-6,15-16H2/b17-9+,18-10+
InChIKeyHPUYRUJWBAROKI-BEQMOXJMSA-N
MW270.29 g/mol
LogP1.37
Rot. Bonds

About (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol

(1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol (PubChem CID 177482224) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol.

Molecular Properties

Compound Name(1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol
PubChem CID177482224
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol
SMILESN/N=C1\CC/C(=N\N)c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C14H14N4O2/c15-17-9-5-6-10(18-16)12-11(9)13(19)7-3-1-2-4-8(7)14(12)20/h1-4,19-20H,5-6,15-16H2/b17-9+,18-10+
InChIKeyHPUYRUJWBAROKI-BEQMOXJMSA-N
XLogP1.37
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol?
The IUPAC name of (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol (CID 177482224) is (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol.
What is the SMILES notation for (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol?
The canonical SMILES for (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol is N/N=C1\CC/C(=N\N)c2c1c(O)c1ccccc1c2O.
What is the InChIKey of (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol?
The InChIKey is HPUYRUJWBAROKI-BEQMOXJMSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-17-9-5-6-10(18-16)12-11(9)13(19)7-3-1-2-4-8(7)14(12)20/h1-4,19-20H,5-6,15-16H2/b17-9+,18-10+.
What are the key properties of (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol?
(1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol has a molecular weight of 270.29 g/mol, XLogP of 1.37, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,4-dihydrazinylidene-2,3-dihydroanthracene-9,10-diol is sourced from PubChem (CID 177482224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).