5-(trifluoromethyl)pyridazin-4-amine;hydrochloride

C5H5ClF3N3 — CID 170907315

IUPAC5-(trifluoromethyl)pyridazin-4-amine;hydrochloride
SMILESCl.Nc1cnncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3.ClH/c6-5(7,8)3-1-10-11-2-4(3)9;/h1-2H,(H2,9,10);1H
InChIKeyIRZKINVBAANECP-UHFFFAOYSA-N
MW199.56 g/mol
LogP1.50
Rot. Bonds

About 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride

5-(trifluoromethyl)pyridazin-4-amine;hydrochloride (PubChem CID 170907315) has the molecular formula C5H5ClF3N3 and a molecular weight of 199.56 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)pyridazin-4-amine;hydrochloride
PubChem CID170907315
Molecular FormulaC5H5ClF3N3
Molecular Weight199.56 g/mol
Exact Mass199.01
IUPAC Name5-(trifluoromethyl)pyridazin-4-amine;hydrochloride
SMILESCl.Nc1cnncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3.ClH/c6-5(7,8)3-1-10-11-2-4(3)9;/h1-2H,(H2,9,10);1H
InChIKeyIRZKINVBAANECP-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.56
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride (CID 170907315) is 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride is Cl.Nc1cnncc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride?
The InChIKey is IRZKINVBAANECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3.ClH/c6-5(7,8)3-1-10-11-2-4(3)9;/h1-2H,(H2,9,10);1H.
What are the key properties of 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride?
5-(trifluoromethyl)pyridazin-4-amine;hydrochloride has a molecular weight of 199.56 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyridazin-4-amine;hydrochloride is sourced from PubChem (CID 170907315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).