N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

C17H17ClF4N4 — CID 69272080

IUPACN-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFc1cc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)ccc1Cl
InChIInChI=1S/C17H17ClF4N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)
InChIKeyVWFURQFWGGETEO-UHFFFAOYSA-N
MW388.80 g/mol
LogP4.36
Rot. Bonds4

About N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 69272080) has the molecular formula C17H17ClF4N4 and a molecular weight of 388.80 g/mol. Its IUPAC name is N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID69272080
Molecular FormulaC17H17ClF4N4
Molecular Weight388.80 g/mol
Exact Mass388.11
IUPAC NameN-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFc1cc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)ccc1Cl
InChIInChI=1S/C17H17ClF4N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)
InChIKeyVWFURQFWGGETEO-UHFFFAOYSA-N
XLogP4.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 69272080) is N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is Fc1cc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)ccc1Cl.
What is the InChIKey of N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is VWFURQFWGGETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF4N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25).
What are the key properties of N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 388.80 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 69272080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).