[2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium

C11H16N5O+ — CID 175473282

IUPAC[2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C11H15N5O/c1-16(2,3)8-11(17)13-9-4-6-10(7-5-9)14-15-12/h4-7H,8H2,1-3H3/p+1
InChIKeyQPDQPCQRTSXPHJ-UHFFFAOYSA-O
MW234.28 g/mol
LogP2.27
Rot. Bonds4

About [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium

[2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium (PubChem CID 175473282) has the molecular formula C11H16N5O+ and a molecular weight of 234.28 g/mol. Its IUPAC name is [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium
PubChem CID175473282
Molecular FormulaC11H16N5O+
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name[2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C11H15N5O/c1-16(2,3)8-11(17)13-9-4-6-10(7-5-9)14-15-12/h4-7H,8H2,1-3H3/p+1
InChIKeyQPDQPCQRTSXPHJ-UHFFFAOYSA-O
XLogP2.27
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-azidophenyl)acetamide
CID 4315161
methyl N-(4-azidophenyl)carbamate
CID 142621312
N-(4-azidophenyl)-2-methylbutanamide
CID 58616737
[2-[4-[(2-hydroxy-5-methylphenyl)diazenyl]anilino]-2-oxoethyl]-trimethylazanium
CID 136707795
N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 166390708
4-[(4-azidobenzoyl)amino]benzamide
CID 169326653
2-(4-azidoanilino)propanoic acid
CID 90146242
(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
CID 10662163
N-[4-(2-azidoacetyl)phenyl]propanamide
CID 98883079
[2-[4-[[4-(butanoylamino)phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium
CID 44604482
2-[[5-[(4-azidobenzoyl)amino]-2-pyridinyl]oxy]acetic acid
CID 23499531
(2-anilino-2-oxoethyl)-(carboxymethyl)-dimethylazanium
CID 12595348

Frequently Asked Questions

What is the IUPAC name of [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium (CID 175473282) is [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium is C[N+](C)(C)CC(=O)Nc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium?
The InChIKey is QPDQPCQRTSXPHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15N5O/c1-16(2,3)8-11(17)13-9-4-6-10(7-5-9)14-15-12/h4-7H,8H2,1-3H3/p+1.
What are the key properties of [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium?
[2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium has a molecular weight of 234.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-azidoanilino)-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 175473282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).