2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride

C8H11ClF3N3O — CID 167975595

IUPAC2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride
SMILESCl.NCCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)6-2-3-7(15)14(13-6)5-1-4-12;/h2-3H,1,4-5,12H2;1H
InChIKeyIDBBGVSUXDPIML-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.03
Rot. Bonds3

About 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride

2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride (PubChem CID 167975595) has the molecular formula C8H11ClF3N3O and a molecular weight of 257.64 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride
PubChem CID167975595
Molecular FormulaC8H11ClF3N3O
Molecular Weight257.64 g/mol
Exact Mass257.05
IUPAC Name2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride
SMILESCl.NCCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)6-2-3-7(15)14(13-6)5-1-4-12;/h2-3H,1,4-5,12H2;1H
InChIKeyIDBBGVSUXDPIML-UHFFFAOYSA-N
XLogP1.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;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 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride?
The IUPAC name of 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride (CID 167975595) is 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride is Cl.NCCCn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride?
The InChIKey is IDBBGVSUXDPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)6-2-3-7(15)14(13-6)5-1-4-12;/h2-3H,1,4-5,12H2;1H.
What are the key properties of 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride?
2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride has a molecular weight of 257.64 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 167975595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).