2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide

C17H26N6O — CID 133492226

IUPAC2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(c2ccc3nnc(C(C)(C)C)n3n2)CC1
InChIInChI=1S/C17H26N6O/c1-17(2,3)16-20-19-13-5-6-14(21-23(13)16)22-9-7-12(8-10-22)11-15(24)18-4/h5-6,12H,7-11H2,1-4H3,(H,18,24)
InChIKeyRJMKWPVWPKYCLV-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.77
Rot. Bonds3

About 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide

2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide (PubChem CID 133492226) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide
PubChem CID133492226
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(c2ccc3nnc(C(C)(C)C)n3n2)CC1
InChIInChI=1S/C17H26N6O/c1-17(2,3)16-20-19-13-5-6-14(21-23(13)16)22-9-7-12(8-10-22)11-15(24)18-4/h5-6,12H,7-11H2,1-4H3,(H,18,24)
InChIKeyRJMKWPVWPKYCLV-UHFFFAOYSA-N
XLogP1.77
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133489859
N-methyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]acetamide
CID 51301192
6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149727
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-phenylpiperidine-3-carboxamide
CID 133488886
1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 133489042
[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 133488313
1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126922638
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 126922420
ethyl N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]carbamate
CID 133489872
N-propan-2-yl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 17451047
1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 126922614
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thian-4-amine
CID 126922606

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide (CID 133492226) is 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(c2ccc3nnc(C(C)(C)C)n3n2)CC1.
What is the InChIKey of 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is RJMKWPVWPKYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-17(2,3)16-20-19-13-5-6-14(21-23(13)16)22-9-7-12(8-10-22)11-15(24)18-4/h5-6,12H,7-11H2,1-4H3,(H,18,24).
What are the key properties of 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide?
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 330.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 133492226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).