N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

C12H17F3N4 — CID 67957385

IUPACN-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESC[C@H]1CC[C@@H](CNc2ccc(C(F)(F)F)nn2)NC1
InChIInChI=1S/C12H17F3N4/c1-8-2-3-9(16-6-8)7-17-11-5-4-10(18-19-11)12(13,14)15/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,17,19)/t8-,9-/m0/s1
InChIKeyABNXIGBDYHSNKL-IUCAKERBSA-N
MW274.29 g/mol
LogP2.30
Rot. Bonds3

About N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 67957385) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID67957385
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESC[C@H]1CC[C@@H](CNc2ccc(C(F)(F)F)nn2)NC1
InChIInChI=1S/C12H17F3N4/c1-8-2-3-9(16-6-8)7-17-11-5-4-10(18-19-11)12(13,14)15/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,17,19)/t8-,9-/m0/s1
InChIKeyABNXIGBDYHSNKL-IUCAKERBSA-N
XLogP2.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 67957385) is N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is C[C@H]1CC[C@@H](CNc2ccc(C(F)(F)F)nn2)NC1.
What is the InChIKey of N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is ABNXIGBDYHSNKL-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-8-2-3-9(16-6-8)7-17-11-5-4-10(18-19-11)12(13,14)15/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,17,19)/t8-,9-/m0/s1.
What are the key properties of N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5S)-5-methylpiperidin-2-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 67957385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).