1-amino-2-anilino-2-oxoethanediazonium

C8H9N4O+ — CID 175021326

IUPAC1-amino-2-anilino-2-oxoethanediazonium
SMILESN#[N+]C(N)C(=O)Nc1ccccc1
InChIInChI=1S/C8H8N4O/c9-7(12-10)8(13)11-6-4-2-1-3-5-6/h1-5,7H,9H2/p+1
InChIKeyOSQZXWNJTBRZJN-UHFFFAOYSA-O
MW177.19 g/mol
LogP0.76
Rot. Bonds2

About 1-amino-2-anilino-2-oxoethanediazonium

1-amino-2-anilino-2-oxoethanediazonium (PubChem CID 175021326) has the molecular formula C8H9N4O+ and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-amino-2-anilino-2-oxoethanediazonium.

Molecular Properties

Compound Name1-amino-2-anilino-2-oxoethanediazonium
PubChem CID175021326
Molecular FormulaC8H9N4O+
Molecular Weight177.19 g/mol
Exact Mass177.08
IUPAC Name1-amino-2-anilino-2-oxoethanediazonium
SMILESN#[N+]C(N)C(=O)Nc1ccccc1
InChIInChI=1S/C8H8N4O/c9-7(12-10)8(13)11-6-4-2-1-3-5-6/h1-5,7H,9H2/p+1
InChIKeyOSQZXWNJTBRZJN-UHFFFAOYSA-O
XLogP0.76
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 10607114
2-amino-2-cyano-N-phenylacetamide
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2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-3-amino-2-hydroxy-N-phenylpropanamide
CID 91043258
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2R)-2-formamido-N,2-diphenylacetamide
CID 167282535
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-anilino-2-oxoethanediazonium?
The IUPAC name of 1-amino-2-anilino-2-oxoethanediazonium (CID 175021326) is 1-amino-2-anilino-2-oxoethanediazonium.
What is the SMILES notation for 1-amino-2-anilino-2-oxoethanediazonium?
The canonical SMILES for 1-amino-2-anilino-2-oxoethanediazonium is N#[N+]C(N)C(=O)Nc1ccccc1.
What is the InChIKey of 1-amino-2-anilino-2-oxoethanediazonium?
The InChIKey is OSQZXWNJTBRZJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N4O/c9-7(12-10)8(13)11-6-4-2-1-3-5-6/h1-5,7H,9H2/p+1.
What are the key properties of 1-amino-2-anilino-2-oxoethanediazonium?
1-amino-2-anilino-2-oxoethanediazonium has a molecular weight of 177.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-anilino-2-oxoethanediazonium is sourced from PubChem (CID 175021326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).