N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C20H24N6O — CID 35440107

IUPACN-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C20H24N6O/c1-15-5-3-4-6-17(15)13-24(2)20(27)16-9-11-25(12-10-16)19-8-7-18-22-21-14-26(18)23-19/h3-8,14,16H,9-13H2,1-2H3
InChIKeyGVMRZQPLXXYXLF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.31
Rot. Bonds4

About N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 35440107) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID35440107
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C20H24N6O/c1-15-5-3-4-6-17(15)13-24(2)20(27)16-9-11-25(12-10-16)19-8-7-18-22-21-14-26(18)23-19/h3-8,14,16H,9-13H2,1-2H3
InChIKeyGVMRZQPLXXYXLF-UHFFFAOYSA-N
XLogP2.31
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 18150885
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 119653759
N-ethyl-N-(2-hydroxyethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78856198
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127
N-ethyl-N-(thiophen-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 38005375
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558342
N-[[2-(methoxymethyl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32607331
N-(4-phenylbutan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42652793
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 56518180
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 112827867
N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55895430

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 35440107) is N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is Cc1ccccc1CN(C)C(=O)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is GVMRZQPLXXYXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-5-3-4-6-17(15)13-24(2)20(27)16-9-11-25(12-10-16)19-8-7-18-22-21-14-26(18)23-19/h3-8,14,16H,9-13H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 35440107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).