3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide

C17H26N6O — CID 20903699

IUPAC3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide
SMILESCC1CCN(c2ccc3nnc(CCC(=O)NC(C)C)n3n2)CC1
InChIInChI=1S/C17H26N6O/c1-12(2)18-17(24)7-6-15-20-19-14-4-5-16(21-23(14)15)22-10-8-13(3)9-11-22/h4-5,12-13H,6-11H2,1-3H3,(H,18,24)
InChIKeyRDMAZQLEECSFMF-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.82
Rot. Bonds5

About 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide

3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide (PubChem CID 20903699) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide
PubChem CID20903699
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide
SMILESCC1CCN(c2ccc3nnc(CCC(=O)NC(C)C)n3n2)CC1
InChIInChI=1S/C17H26N6O/c1-12(2)18-17(24)7-6-15-20-19-14-4-5-16(21-23(14)15)22-10-8-13(3)9-11-22/h4-5,12-13H,6-11H2,1-3H3,(H,18,24)
InChIKeyRDMAZQLEECSFMF-UHFFFAOYSA-N
XLogP1.82
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide (CID 20903699) is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide is CC1CCN(c2ccc3nnc(CCC(=O)NC(C)C)n3n2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide?
The InChIKey is RDMAZQLEECSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12(2)18-17(24)7-6-15-20-19-14-4-5-16(21-23(14)15)22-10-8-13(3)9-11-22/h4-5,12-13H,6-11H2,1-3H3,(H,18,24).
What are the key properties of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide?
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide has a molecular weight of 330.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 20903699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).