6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine

C16H18F4N6 — CID 155981344

IUPAC6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)nn1
InChIInChI=1S/C16H18F4N6/c1-24(2)13-3-4-14(23-22-13)25-5-7-26(8-6-25)15-12(17)9-11(10-21-15)16(18,19)20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIBLBSOXAKLFQAU-UHFFFAOYSA-N
MW370.35 g/mol
LogP2.42
Rot. Bonds3

About 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine

6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine (PubChem CID 155981344) has the molecular formula C16H18F4N6 and a molecular weight of 370.35 g/mol. Its IUPAC name is 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
PubChem CID155981344
Molecular FormulaC16H18F4N6
Molecular Weight370.35 g/mol
Exact Mass370.15
IUPAC Name6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)nn1
InChIInChI=1S/C16H18F4N6/c1-24(2)13-3-4-14(23-22-13)25-5-7-26(8-6-25)15-12(17)9-11(10-21-15)16(18,19)20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIBLBSOXAKLFQAU-UHFFFAOYSA-N
XLogP2.42
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine with MolForge

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Related Compounds

1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 171999708
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridazine-3-carbonitrile
CID 163351761
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 166605221
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 71112161
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444
N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine
CID 163349137
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine (CID 155981344) is 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine is CN(C)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)nn1.
What is the InChIKey of 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The InChIKey is IBLBSOXAKLFQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N6/c1-24(2)13-3-4-14(23-22-13)25-5-7-26(8-6-25)15-12(17)9-11(10-21-15)16(18,19)20/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine has a molecular weight of 370.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 155981344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).