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

C21H26N6O — CID 20881436

IUPAC3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc3ccc(NC4CCCC4)nn23)cc1C
InChIInChI=1S/C21H26N6O/c1-14-7-8-17(13-15(14)2)23-21(28)12-11-20-25-24-19-10-9-18(26-27(19)20)22-16-5-3-4-6-16/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyIRZQGDRWVGELQW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.67
Rot. Bonds6

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

3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide (PubChem CID 20881436) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide
PubChem CID20881436
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc3ccc(NC4CCCC4)nn23)cc1C
InChIInChI=1S/C21H26N6O/c1-14-7-8-17(13-15(14)2)23-21(28)12-11-20-25-24-19-10-9-18(26-27(19)20)22-16-5-3-4-6-16/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyIRZQGDRWVGELQW-UHFFFAOYSA-N
XLogP3.67
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[3-[3-(3,4-dimethylanilino)-3-oxopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 20881419
N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903995
3-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methylphenyl)propanamide
CID 20881402
N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957093
N-(1,3-benzodioxol-5-yl)-3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957288
3-[6-(1,3-benzodioxol-5-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-ethoxyphenyl)propanamide
CID 20957407
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 4981107
N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]cyclohexanecarboxamide
CID 4507766
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849
N-(3,5-dimethoxyphenyl)-3-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957483
N-(4-fluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904008
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide (CID 20881436) is 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCc2nnc3ccc(NC4CCCC4)nn23)cc1C.
What is the InChIKey of 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is IRZQGDRWVGELQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-7-8-17(13-15(14)2)23-21(28)12-11-20-25-24-19-10-9-18(26-27(19)20)22-16-5-3-4-6-16/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide?
3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopentylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 20881436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).