2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one

C16H19F3N6O — CID 126889731

IUPAC2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one
SMILESCn1ncc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)cc1=O
InChIInChI=1S/C16H19F3N6O/c1-24-15(26)6-11(8-22-24)9-25-4-2-12(3-5-25)23-14-7-13(16(17,18)19)20-10-21-14/h6-8,10,12H,2-5,9H2,1H3,(H,20,21,23)
InChIKeyBPXPDXKIBDSYIM-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one

2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one (PubChem CID 126889731) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one
PubChem CID126889731
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one
SMILESCn1ncc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)cc1=O
InChIInChI=1S/C16H19F3N6O/c1-24-15(26)6-11(8-22-24)9-25-4-2-12(3-5-25)23-14-7-13(16(17,18)19)20-10-21-14/h6-8,10,12H,2-5,9H2,1H3,(H,20,21,23)
InChIKeyBPXPDXKIBDSYIM-UHFFFAOYSA-N
XLogP1.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-oxo-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 91631379
N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 91631434
2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91631441
2-(2-oxo-2-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 91631519
N-(1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)acetamide
CID 49431027
6-oxo-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-1,6-dihydropyridine-3-carboxamide
CID 91631417
N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 91631444
1-methyl-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 119102246
2-[4-[4-[2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
CID 25256748
2-[4-[4-[2-Tert-butyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
CID 67512117
2-{4-[4-(2-tert-Butyl-6-difluoromethyl-pyrimidin-4-yl)-piperazin-1-yl]butyl}-2H-[1,2,4]triazine-3,5-dione hydrochloride
CID 67512578
2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
CID 132176650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one (CID 126889731) is 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one is Cn1ncc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one?
The InChIKey is BPXPDXKIBDSYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-24-15(26)6-11(8-22-24)9-25-4-2-12(3-5-25)23-14-7-13(16(17,18)19)20-10-21-14/h6-8,10,12H,2-5,9H2,1H3,(H,20,21,23).
What are the key properties of 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one?
2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one has a molecular weight of 368.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126889731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).