N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine

C15H15F4N5 — CID 133372358

IUPACN-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine
SMILESCN(c1cccnn1)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C15H15F4N5/c1-23(10-3-2-6-20-22-10)9-4-7-24(8-5-9)13-11(16)14(18)21-15(19)12(13)17/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyFKTSGGVBMOLRMO-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.53
Rot. Bonds3

About N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine

N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine (PubChem CID 133372358) has the molecular formula C15H15F4N5 and a molecular weight of 341.31 g/mol. Its IUPAC name is N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine
PubChem CID133372358
Molecular FormulaC15H15F4N5
Molecular Weight341.31 g/mol
Exact Mass341.13
IUPAC NameN-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine
SMILESCN(c1cccnn1)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C15H15F4N5/c1-23(10-3-2-6-20-22-10)9-4-7-24(8-5-9)13-11(16)14(18)21-15(19)12(13)17/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyFKTSGGVBMOLRMO-UHFFFAOYSA-N
XLogP2.53
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine?
The IUPAC name of N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine (CID 133372358) is N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine?
The canonical SMILES for N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine is CN(c1cccnn1)C1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine?
The InChIKey is FKTSGGVBMOLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N5/c1-23(10-3-2-6-20-22-10)9-4-7-24(8-5-9)13-11(16)14(18)21-15(19)12(13)17/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine?
N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine has a molecular weight of 341.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 133372358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).