(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride

C5H14ClN3O — CID 122696324

IUPAC(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride
SMILESC[N+](C)(C)C(C=O)NN.[Cl-]
InChIInChI=1S/C5H14N3O.ClH/c1-8(2,3)5(4-9)7-6;/h4-5,7H,6H2,1-3H3;1H/q+1;/p-1
InChIKeyFXWCDLAVUZOTAF-UHFFFAOYSA-M
MW167.64 g/mol
LogP-4.32
Rot. Bonds3

About (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride

(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride (PubChem CID 122696324) has the molecular formula C5H14ClN3O and a molecular weight of 167.64 g/mol. Its IUPAC name is (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride.

Molecular Properties

Compound Name(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride
PubChem CID122696324
Molecular FormulaC5H14ClN3O
Molecular Weight167.64 g/mol
Exact Mass167.08
IUPAC Name(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride
SMILESC[N+](C)(C)C(C=O)NN.[Cl-]
InChIInChI=1S/C5H14N3O.ClH/c1-8(2,3)5(4-9)7-6;/h4-5,7H,6H2,1-3H3;1H/q+1;/p-1
InChIKeyFXWCDLAVUZOTAF-UHFFFAOYSA-M
XLogP-4.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-4.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride?
The IUPAC name of (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride (CID 122696324) is (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride.
What is the SMILES notation for (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride?
The canonical SMILES for (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride is C[N+](C)(C)C(C=O)NN.[Cl-].
What is the InChIKey of (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride?
The InChIKey is FXWCDLAVUZOTAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N3O.ClH/c1-8(2,3)5(4-9)7-6;/h4-5,7H,6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride?
(1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride has a molecular weight of 167.64 g/mol, XLogP of -4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydrazinyl-2-oxoethyl)-trimethylazanium chloride is sourced from PubChem (CID 122696324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).