4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

C17H17F5N4 — CID 91410212

IUPAC4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESNc1nnc(C(F)(F)F)cc1C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H17F5N4/c18-12-5-10(6-13(19)7-12)9-26-3-1-11(2-4-26)14-8-15(17(20,21)22)24-25-16(14)23/h5-8,11H,1-4,9H2,(H2,23,25)
InChIKeyJDSMDGYDZXOTAL-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.74
Rot. Bonds3

About 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 91410212) has the molecular formula C17H17F5N4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID91410212
Molecular FormulaC17H17F5N4
Molecular Weight372.34 g/mol
Exact Mass372.14
IUPAC Name4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESNc1nnc(C(F)(F)F)cc1C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H17F5N4/c18-12-5-10(6-13(19)7-12)9-26-3-1-11(2-4-26)14-8-15(17(20,21)22)24-25-16(14)23/h5-8,11H,1-4,9H2,(H2,23,25)
InChIKeyJDSMDGYDZXOTAL-UHFFFAOYSA-N
XLogP3.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 91410212) is 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is Nc1nnc(C(F)(F)F)cc1C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is JDSMDGYDZXOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5N4/c18-12-5-10(6-13(19)7-12)9-26-3-1-11(2-4-26)14-8-15(17(20,21)22)24-25-16(14)23/h5-8,11H,1-4,9H2,(H2,23,25).
What are the key properties of 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 372.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 91410212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).