N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine

C15H17FN4 — CID 6412527

IUPACN-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine
SMILESFc1cccc(Nc2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C15H17FN4/c16-12-5-4-6-13(11-12)17-14-7-8-15(19-18-14)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2,(H,17,18)
InChIKeyGYPKZOPRVJZAJR-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.35
Rot. Bonds3

About N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine

N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine (PubChem CID 6412527) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine
PubChem CID6412527
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC NameN-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine
SMILESFc1cccc(Nc2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C15H17FN4/c16-12-5-4-6-13(11-12)17-14-7-8-15(19-18-14)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2,(H,17,18)
InChIKeyGYPKZOPRVJZAJR-UHFFFAOYSA-N
XLogP3.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine (CID 6412527) is N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine is Fc1cccc(Nc2ccc(N3CCCCC3)nn2)c1.
What is the InChIKey of N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine?
The InChIKey is GYPKZOPRVJZAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-12-5-4-6-13(11-12)17-14-7-8-15(19-18-14)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10H2,(H,17,18).
What are the key properties of N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine?
N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine has a molecular weight of 272.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine is sourced from PubChem (CID 6412527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).