acetyl chloride;2H-triazole;hydrochloride

C4H7Cl2N3O — CID 175291786

IUPACacetyl chloride;2H-triazole;hydrochloride
SMILESCC(=O)Cl.Cl.c1cn[nH]n1
InChIInChI=1S/C2H3ClO.C2H3N3.ClH/c1-2(3)4;1-2-4-5-3-1;/h1H3;1-2H,(H,3,4,5);1H
InChIKeyAMWZAEBUPGWUJH-UHFFFAOYSA-N
MW184.03 g/mol
LogP1.00
Rot. Bonds

About acetyl chloride;2H-triazole;hydrochloride

acetyl chloride;2H-triazole;hydrochloride (PubChem CID 175291786) has the molecular formula C4H7Cl2N3O and a molecular weight of 184.03 g/mol. Its IUPAC name is acetyl chloride;2H-triazole;hydrochloride.

Molecular Properties

Compound Nameacetyl chloride;2H-triazole;hydrochloride
PubChem CID175291786
Molecular FormulaC4H7Cl2N3O
Molecular Weight184.03 g/mol
Exact Mass183.00
IUPAC Nameacetyl chloride;2H-triazole;hydrochloride
SMILESCC(=O)Cl.Cl.c1cn[nH]n1
InChIInChI=1S/C2H3ClO.C2H3N3.ClH/c1-2(3)4;1-2-4-5-3-1;/h1H3;1-2H,(H,3,4,5);1H
InChIKeyAMWZAEBUPGWUJH-UHFFFAOYSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetyl chloride;2H-triazole;hydrochloride 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 acetyl chloride;2H-triazole;hydrochloride?
The IUPAC name of acetyl chloride;2H-triazole;hydrochloride (CID 175291786) is acetyl chloride;2H-triazole;hydrochloride.
What is the SMILES notation for acetyl chloride;2H-triazole;hydrochloride?
The canonical SMILES for acetyl chloride;2H-triazole;hydrochloride is CC(=O)Cl.Cl.c1cn[nH]n1.
What is the InChIKey of acetyl chloride;2H-triazole;hydrochloride?
The InChIKey is AMWZAEBUPGWUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO.C2H3N3.ClH/c1-2(3)4;1-2-4-5-3-1;/h1H3;1-2H,(H,3,4,5);1H.
What are the key properties of acetyl chloride;2H-triazole;hydrochloride?
acetyl chloride;2H-triazole;hydrochloride has a molecular weight of 184.03 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;2H-triazole;hydrochloride is sourced from PubChem (CID 175291786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).