1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane

C15H18N4O — CID 175747841

IUPAC1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane
SMILESCC(=O)c1cccc(C(=NN)c2ccccc2)c1N.N
InChIInChI=1S/C15H15N3O.H3N/c1-10(19)12-8-5-9-13(14(12)16)15(18-17)11-6-3-2-4-7-11;/h2-9H,16-17H2,1H3;1H3
InChIKeyMDQJRVIVEBEKSS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.34
Rot. Bonds3

About 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane

1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane (PubChem CID 175747841) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane.

Molecular Properties

Compound Name1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane
PubChem CID175747841
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane
SMILESCC(=O)c1cccc(C(=NN)c2ccccc2)c1N.N
InChIInChI=1S/C15H15N3O.H3N/c1-10(19)12-8-5-9-13(14(12)16)15(18-17)11-6-3-2-4-7-11;/h2-9H,16-17H2,1H3;1H3
InChIKeyMDQJRVIVEBEKSS-UHFFFAOYSA-N
XLogP2.34
TPSA116.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane?
The IUPAC name of 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane (CID 175747841) is 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane.
What is the SMILES notation for 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane?
The canonical SMILES for 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane is CC(=O)c1cccc(C(=NN)c2ccccc2)c1N.N.
What is the InChIKey of 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane?
The InChIKey is MDQJRVIVEBEKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.H3N/c1-10(19)12-8-5-9-13(14(12)16)15(18-17)11-6-3-2-4-7-11;/h2-9H,16-17H2,1H3;1H3.
What are the key properties of 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane?
1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane has a molecular weight of 270.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone;azane is sourced from PubChem (CID 175747841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).