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

C18H21FN6O — CID 20903929

IUPAC3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(F)cc3)n2n1
InChIInChI=1S/C18H21FN6O/c1-3-24(4-2)17-10-9-15-21-22-16(25(15)23-17)11-12-18(26)20-14-7-5-13(19)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,20,26)
InChIKeyWJHBKRILLSUOKX-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.68
Rot. Bonds7

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

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 20903929) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide
PubChem CID20903929
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(F)cc3)n2n1
InChIInChI=1S/C18H21FN6O/c1-3-24(4-2)17-10-9-15-21-22-16(25(15)23-17)11-12-18(26)20-14-7-5-13(19)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,20,26)
InChIKeyWJHBKRILLSUOKX-UHFFFAOYSA-N
XLogP2.68
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide
CID 20903918
N-(5-chloro-2-pyridinyl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903911
N-(4-fluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904008
N-(4-fluorophenyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904098
3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 20957275
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20903932
N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 17416959
N-(1,3-benzodioxol-5-yl)-3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957288
N-(4-ethylphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 46344919
2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 133424969
3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 20957283
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 20903933

Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide (CID 20903929) is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide is CCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(F)cc3)n2n1.
What is the InChIKey of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is WJHBKRILLSUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-3-24(4-2)17-10-9-15-21-22-16(25(15)23-17)11-12-18(26)20-14-7-5-13(19)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,20,26).
What are the key properties of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide?
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 356.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 20903929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).