(2-hydrazinyl-2-oxoethyl)-dimethylazanium

C4H12N3O+ — CID 6997256

IUPAC(2-hydrazinyl-2-oxoethyl)-dimethylazanium
SMILESC[NH+](C)CC(=O)NN
InChIInChI=1S/C4H11N3O/c1-7(2)3-4(8)6-5/h3,5H2,1-2H3,(H,6,8)/p+1
InChIKeyDALNXMAZDJRTPB-UHFFFAOYSA-O
MW118.16 g/mol
LogP-2.88
Rot. Bonds2

About (2-hydrazinyl-2-oxoethyl)-dimethylazanium

(2-hydrazinyl-2-oxoethyl)-dimethylazanium (PubChem CID 6997256) has the molecular formula C4H12N3O+ and a molecular weight of 118.16 g/mol. Its IUPAC name is (2-hydrazinyl-2-oxoethyl)-dimethylazanium.

Molecular Properties

Compound Name(2-hydrazinyl-2-oxoethyl)-dimethylazanium
PubChem CID6997256
Molecular FormulaC4H12N3O+
Molecular Weight118.16 g/mol
Exact Mass118.10
IUPAC Name(2-hydrazinyl-2-oxoethyl)-dimethylazanium
SMILESC[NH+](C)CC(=O)NN
InChIInChI=1S/C4H11N3O/c1-7(2)3-4(8)6-5/h3,5H2,1-2H3,(H,6,8)/p+1
InChIKeyDALNXMAZDJRTPB-UHFFFAOYSA-O
XLogP-2.88
TPSA59.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-2.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (2-hydrazinyl-2-oxoethyl)-dimethylazanium?
The IUPAC name of (2-hydrazinyl-2-oxoethyl)-dimethylazanium (CID 6997256) is (2-hydrazinyl-2-oxoethyl)-dimethylazanium.
What is the SMILES notation for (2-hydrazinyl-2-oxoethyl)-dimethylazanium?
The canonical SMILES for (2-hydrazinyl-2-oxoethyl)-dimethylazanium is C[NH+](C)CC(=O)NN.
What is the InChIKey of (2-hydrazinyl-2-oxoethyl)-dimethylazanium?
The InChIKey is DALNXMAZDJRTPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N3O/c1-7(2)3-4(8)6-5/h3,5H2,1-2H3,(H,6,8)/p+1.
What are the key properties of (2-hydrazinyl-2-oxoethyl)-dimethylazanium?
(2-hydrazinyl-2-oxoethyl)-dimethylazanium has a molecular weight of 118.16 g/mol, XLogP of -2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-2-oxoethyl)-dimethylazanium is sourced from PubChem (CID 6997256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).