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

C12H16N6O — CID 3053351

IUPACN-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
SMILESCC(=O)Nc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C12H16N6O/c1-9(19)13-12-15-14-10-5-6-11(16-18(10)12)17-7-3-2-4-8-17/h5-6H,2-4,7-8H2,1H3,(H,13,15,19)
InChIKeyAWNPTPSPKVTLCY-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.07
Rot. Bonds2

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

N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide (PubChem CID 3053351) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
PubChem CID3053351
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
SMILESCC(=O)Nc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C12H16N6O/c1-9(19)13-12-15-14-10-5-6-11(16-18(10)12)17-7-3-2-4-8-17/h5-6H,2-4,7-8H2,1H3,(H,13,15,19)
InChIKeyAWNPTPSPKVTLCY-UHFFFAOYSA-N
XLogP1.07
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 869844
1-(3,5-Dimethylpiperidin-1-YL)-3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propan-1-one
CID 20904042
N-isopropyl-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903699
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
CID 20903700
N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903711
3-Methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 910090
N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903705
N-(sec-butyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903680
N-(3-ethoxypropyl)-3-(6-piperidin-1-yl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956883
N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 164614401
6-Piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 683253
N-cyclohexyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 53608569

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
The IUPAC name of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide (CID 3053351) is N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide.
What is the SMILES notation for N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
The canonical SMILES for N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide is CC(=O)Nc1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
The InChIKey is AWNPTPSPKVTLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9(19)13-12-15-14-10-5-6-11(16-18(10)12)17-7-3-2-4-8-17/h5-6H,2-4,7-8H2,1H3,(H,13,15,19).
What are the key properties of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide?
N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide is sourced from PubChem (CID 3053351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).