N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine

C16H18F3N5 — CID 154737129

IUPACN-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(N2CCCC(Nc3cc(C(F)(F)F)ccn3)C2)nn1
InChIInChI=1S/C16H18F3N5/c1-11-4-5-15(23-22-11)24-8-2-3-13(10-24)21-14-9-12(6-7-20-14)16(17,18)19/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyVNUCLDXRLUXMNO-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.28
Rot. Bonds3

About N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 154737129) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID154737129
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC NameN-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(N2CCCC(Nc3cc(C(F)(F)F)ccn3)C2)nn1
InChIInChI=1S/C16H18F3N5/c1-11-4-5-15(23-22-11)24-8-2-3-13(10-24)21-14-9-12(6-7-20-14)16(17,18)19/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyVNUCLDXRLUXMNO-UHFFFAOYSA-N
XLogP3.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 97221881
N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95331385
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999
(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 95724010
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121118531
5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56777998
N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]acetamide
CID 119098943
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 154737129) is N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine is Cc1ccc(N2CCCC(Nc3cc(C(F)(F)F)ccn3)C2)nn1.
What is the InChIKey of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VNUCLDXRLUXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-11-4-5-15(23-22-11)24-8-2-3-13(10-24)21-14-9-12(6-7-20-14)16(17,18)19/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,21).
What are the key properties of N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 337.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 154737129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).