6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride

C16H17Cl2F3N4 — CID 88700023

IUPAC6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(N2CCCC(Nc3ccc(Cl)nn3)C2)c1
InChIInChI=1S/C16H16ClF3N4.ClH/c17-14-6-7-15(23-22-14)21-12-4-2-8-24(10-12)13-5-1-3-11(9-13)16(18,19)20;/h1,3,5-7,9,12H,2,4,8,10H2,(H,21,23);1H
InChIKeyOXAABFAISMPXQF-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.65
Rot. Bonds3

About 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride

6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride (PubChem CID 88700023) has the molecular formula C16H17Cl2F3N4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride
PubChem CID88700023
Molecular FormulaC16H17Cl2F3N4
Molecular Weight393.24 g/mol
Exact Mass392.08
IUPAC Name6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(N2CCCC(Nc3ccc(Cl)nn3)C2)c1
InChIInChI=1S/C16H16ClF3N4.ClH/c17-14-6-7-15(23-22-14)21-12-4-2-8-24(10-12)13-5-1-3-11(9-13)16(18,19)20;/h1,3,5-7,9,12H,2,4,8,10H2,(H,21,23);1H
InChIKeyOXAABFAISMPXQF-UHFFFAOYSA-N
XLogP4.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride?
The IUPAC name of 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride (CID 88700023) is 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride is Cl.FC(F)(F)c1cccc(N2CCCC(Nc3ccc(Cl)nn3)C2)c1.
What is the InChIKey of 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride?
The InChIKey is OXAABFAISMPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4.ClH/c17-14-6-7-15(23-22-14)21-12-4-2-8-24(10-12)13-5-1-3-11(9-13)16(18,19)20;/h1,3,5-7,9,12H,2,4,8,10H2,(H,21,23);1H.
What are the key properties of 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride?
6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride has a molecular weight of 393.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 88700023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).