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

C20H24N6O — CID 20956892

IUPAC3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide
SMILESO=C(CCc1nnc2ccc(NCc3ccccc3)nn12)NC1CCCC1
InChIInChI=1S/C20H24N6O/c27-20(22-16-8-4-5-9-16)13-12-19-24-23-18-11-10-17(25-26(18)19)21-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,21,25)(H,22,27)
InChIKeyFNEUVJKRWDVOSR-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.73
Rot. Bonds7

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

3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide (PubChem CID 20956892) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide
PubChem CID20956892
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide
SMILESO=C(CCc1nnc2ccc(NCc3ccccc3)nn12)NC1CCCC1
InChIInChI=1S/C20H24N6O/c27-20(22-16-8-4-5-9-16)13-12-19-24-23-18-11-10-17(25-26(18)19)21-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,21,25)(H,22,27)
InChIKeyFNEUVJKRWDVOSR-UHFFFAOYSA-N
XLogP2.73
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
Akt-l-1
CID 10271028
N-Methyl-N-(3-(6-Phenyl(1,2,4)Triazolo(4,3-B)Pyridazin-3-Yl)Phenyl)Acetamide
CID 5287936
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)pentanamide
CID 7532156
N-(4-methylbenzyl)-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 2727469
N-(4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)cyclopentanecarboxamide
CID 7217816
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
CID 7217821
N-(4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-2-cyclohexylacetamide
CID 7532286
Ethyl 4-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-1-carboxylate
CID 5307246
3-[[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propyl-dipropyl-amine
CID 9550643
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 16008453
N-Butyl-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 16012540

Frequently Asked Questions

What is the IUPAC name of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide?
The IUPAC name of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide (CID 20956892) is 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide is O=C(CCc1nnc2ccc(NCc3ccccc3)nn12)NC1CCCC1.
What is the InChIKey of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide?
The InChIKey is FNEUVJKRWDVOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(22-16-8-4-5-9-16)13-12-19-24-23-18-11-10-17(25-26(18)19)21-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,21,25)(H,22,27).
What are the key properties of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide?
3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 20956892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).