N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

C20H33N7O — CID 20903701

IUPACN-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCN(CC)CCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C20H33N7O/c1-4-25(5-2)15-12-21-20(28)9-8-18-23-22-17-6-7-19(24-27(17)18)26-13-10-16(3)11-14-26/h6-7,16H,4-5,8-15H2,1-3H3,(H,21,28)
InChIKeyMJLAFKIHBVRUDG-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.75
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903701) has the molecular formula C20H33N7O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903701
Molecular FormulaC20H33N7O
Molecular Weight387.53 g/mol
Exact Mass387.27
IUPAC NameN-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCCN(CC)CCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C20H33N7O/c1-4-25(5-2)15-12-21-20(28)9-8-18-23-22-17-6-7-19(24-27(17)18)26-13-10-16(3)11-14-26/h6-7,16H,4-5,8-15H2,1-3H3,(H,21,28)
InChIKeyMJLAFKIHBVRUDG-UHFFFAOYSA-N
XLogP1.75
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 1-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanoyl}piperidine-4-carboxylate
CID 20903685
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
Ethyl 1-[3-(6-{[3-(2-oxopyrrolidin-1-YL)propyl]amino}-[1,2,4]triazolo[4,3-B]pyridazin-3-YL)propanoyl]piperidine-4-carboxylate
CID 20957484
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
Ethyl 2-{3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}propanoate
CID 20904052

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903701) is N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is CCN(CC)CCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is MJLAFKIHBVRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O/c1-4-25(5-2)15-12-21-20(28)9-8-18-23-22-17-6-7-19(24-27(17)18)26-13-10-16(3)11-14-26/h6-7,16H,4-5,8-15H2,1-3H3,(H,21,28).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 387.53 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).