N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine

C16H19FN4 — CID 6404338

IUPACN-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCCCC3)nn2)cc1F
InChIInChI=1S/C16H19FN4/c1-12-5-6-13(11-14(12)17)18-15-7-8-16(20-19-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)
InChIKeySRSSCZDJAQCRGX-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.66
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine

N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine (PubChem CID 6404338) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine
PubChem CID6404338
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC NameN-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCCCC3)nn2)cc1F
InChIInChI=1S/C16H19FN4/c1-12-5-6-13(11-14(12)17)18-15-7-8-16(20-19-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)
InChIKeySRSSCZDJAQCRGX-UHFFFAOYSA-N
XLogP3.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine (CID 6404338) is N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine is Cc1ccc(Nc2ccc(N3CCCCC3)nn2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine?
The InChIKey is SRSSCZDJAQCRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-12-5-6-13(11-14(12)17)18-15-7-8-16(20-19-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine?
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine has a molecular weight of 286.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine is sourced from PubChem (CID 6404338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).