2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide

C17H22N6O — CID 166256119

IUPAC2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide
SMILESCn1nccc1C1CC2CCC(C1)N2CC(=O)Nc1cccnn1
InChIInChI=1S/C17H22N6O/c1-22-15(6-8-19-22)12-9-13-4-5-14(10-12)23(13)11-17(24)20-16-3-2-7-18-21-16/h2-3,6-8,12-14H,4-5,9-11H2,1H3,(H,20,21,24)
InChIKeyYHDJWFQVJWKGHL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.56
Rot. Bonds4

About 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide

2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide (PubChem CID 166256119) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide
PubChem CID166256119
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide
SMILESCn1nccc1C1CC2CCC(C1)N2CC(=O)Nc1cccnn1
InChIInChI=1S/C17H22N6O/c1-22-15(6-8-19-22)12-9-13-4-5-14(10-12)23(13)11-17(24)20-16-3-2-7-18-21-16/h2-3,6-8,12-14H,4-5,9-11H2,1H3,(H,20,21,24)
InChIKeyYHDJWFQVJWKGHL-UHFFFAOYSA-N
XLogP1.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide?
The IUPAC name of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide (CID 166256119) is 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide.
What is the SMILES notation for 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide?
The canonical SMILES for 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide is Cn1nccc1C1CC2CCC(C1)N2CC(=O)Nc1cccnn1.
What is the InChIKey of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide?
The InChIKey is YHDJWFQVJWKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-15(6-8-19-22)12-9-13-4-5-14(10-12)23(13)11-17(24)20-16-3-2-7-18-21-16/h2-3,6-8,12-14H,4-5,9-11H2,1H3,(H,20,21,24).
What are the key properties of 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide?
2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide has a molecular weight of 326.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide is sourced from PubChem (CID 166256119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).