3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride

C6H7ClF3N3O — CID 154852986

IUPAC3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C6H6F3N3O.ClH/c7-6(8,9)4-1-3(2-10)11-12-5(4)13;/h1H,2,10H2,(H,12,13);1H
InChIKeyQRVMXYMCFKYHBG-UHFFFAOYSA-N
MW229.59 g/mol
LogP0.67
Rot. Bonds1

About 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride

3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride (PubChem CID 154852986) has the molecular formula C6H7ClF3N3O and a molecular weight of 229.59 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride
PubChem CID154852986
Molecular FormulaC6H7ClF3N3O
Molecular Weight229.59 g/mol
Exact Mass229.02
IUPAC Name3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C6H6F3N3O.ClH/c7-6(8,9)4-1-3(2-10)11-12-5(4)13;/h1H,2,10H2,(H,12,13);1H
InChIKeyQRVMXYMCFKYHBG-UHFFFAOYSA-N
XLogP0.67
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.59
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride (CID 154852986) is 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride is Cl.NCc1cc(C(F)(F)F)c(=O)[nH]n1.
What is the InChIKey of 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride?
The InChIKey is QRVMXYMCFKYHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O.ClH/c7-6(8,9)4-1-3(2-10)11-12-5(4)13;/h1H,2,10H2,(H,12,13);1H.
What are the key properties of 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride?
3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride has a molecular weight of 229.59 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 154852986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).