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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Related Compounds

N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine
CID 6412527
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
N-phenyl-6-piperidin-1-ylpyridazin-3-amine
CID 6461022
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
N-(3-fluoro-4-methylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335740
1-(3-fluoro-4-methylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318124
ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
CID 153337869
1-(3-fluoro-4-methylphenyl)-3-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 53048031
N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347837
N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702

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).