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

C15H22N6O — CID 133354590

IUPAC2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
SMILESCc1nnc2ccc(N3CCCC(NC(=O)C(C)C)C3)nn12
InChIInChI=1S/C15H22N6O/c1-10(2)15(22)16-12-5-4-8-20(9-12)14-7-6-13-18-17-11(3)21(13)19-14/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,22)
InChIKeyPORQLOFPYBLQCW-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.17
Rot. Bonds3

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

2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide (PubChem CID 133354590) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
PubChem CID133354590
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
SMILESCc1nnc2ccc(N3CCCC(NC(=O)C(C)C)C3)nn12
InChIInChI=1S/C15H22N6O/c1-10(2)15(22)16-12-5-4-8-20(9-12)14-7-6-13-18-17-11(3)21(13)19-14/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,22)
InChIKeyPORQLOFPYBLQCW-UHFFFAOYSA-N
XLogP1.17
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}acetate
CID 20903690
Methyl 3-methyl-2-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}butanoate
CID 20903724
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
methyl N-[3-(6-piperidin-1-yl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
CID 20904053
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
N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903705
Ethyl 2-{3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}propanoate
CID 20904052
N-(sec-butyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903680
Ethyl 2-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}propanoate
CID 20903723
N-(3-isopropoxypropyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide (CID 133354590) is 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide is Cc1nnc2ccc(N3CCCC(NC(=O)C(C)C)C3)nn12.
What is the InChIKey of 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide?
The InChIKey is PORQLOFPYBLQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)15(22)16-12-5-4-8-20(9-12)14-7-6-13-18-17-11(3)21(13)19-14/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,22).
What are the key properties of 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide?
2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133354590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).