(2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride

C4H12ClN3O — CID 169424637

IUPAC(2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride
SMILESC[NH+](C)CC(=O)NN.[Cl-]
InChIInChI=1S/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H
InChIKeyOBXBQDQBTXIDCA-UHFFFAOYSA-N
MW153.61 g/mol
LogP-5.88
Rot. Bonds2

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

(2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride (PubChem CID 169424637) has the molecular formula C4H12ClN3O and a molecular weight of 153.61 g/mol. Its IUPAC name is (2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride.

Molecular Properties

Compound Name(2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride
PubChem CID169424637
Molecular FormulaC4H12ClN3O
Molecular Weight153.61 g/mol
Exact Mass153.07
IUPAC Name(2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride
SMILESC[NH+](C)CC(=O)NN.[Cl-]
InChIInChI=1S/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H
InChIKeyOBXBQDQBTXIDCA-UHFFFAOYSA-N
XLogP-5.88
TPSA59.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-5.88
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 chloride?
The IUPAC name of (2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride (CID 169424637) is (2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride.
What is the SMILES notation for (2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride?
The canonical SMILES for (2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride is C[NH+](C)CC(=O)NN.[Cl-].
What is the InChIKey of (2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride?
The InChIKey is OBXBQDQBTXIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H.
What are the key properties of (2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride?
(2-hydrazinyl-2-oxoethyl)-dimethylazanium chloride has a molecular weight of 153.61 g/mol, XLogP of -5.88, 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 chloride is sourced from PubChem (CID 169424637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).