1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

C19H21FN6O2 — CID 166263146

IUPAC1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCOc1ccc2nnc(CCC(=O)N3CCNC(c4ccc(F)cc4)C3)n2n1
InChIInChI=1S/C19H21FN6O2/c1-28-18-8-6-16-22-23-17(26(16)24-18)7-9-19(27)25-11-10-21-15(12-25)13-2-4-14(20)5-3-13/h2-6,8,15,21H,7,9-12H2,1H3
InChIKeyWSDWUVAIXBVNDO-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.38
Rot. Bonds5

About 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (PubChem CID 166263146) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
PubChem CID166263146
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCOc1ccc2nnc(CCC(=O)N3CCNC(c4ccc(F)cc4)C3)n2n1
InChIInChI=1S/C19H21FN6O2/c1-28-18-8-6-16-22-23-17(26(16)24-18)7-9-19(27)25-11-10-21-15(12-25)13-2-4-14(20)5-3-13/h2-6,8,15,21H,7,9-12H2,1H3
InChIKeyWSDWUVAIXBVNDO-UHFFFAOYSA-N
XLogP1.38
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 166263244
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56761905
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 91970342
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 96557614
tert-butyl (3S)-3-(4-fluorophenyl)piperazine-1-carboxylate
CID 68747024
1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 137429583
(1S,9R)-11-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 75464732
3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 167978497
3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 167768221
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 91637407
3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 20957289
3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 20956928

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (CID 166263146) is 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is COc1ccc2nnc(CCC(=O)N3CCNC(c4ccc(F)cc4)C3)n2n1.
What is the InChIKey of 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The InChIKey is WSDWUVAIXBVNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-28-18-8-6-16-22-23-17(26(16)24-18)7-9-19(27)25-11-10-21-15(12-25)13-2-4-14(20)5-3-13/h2-6,8,15,21H,7,9-12H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one has a molecular weight of 384.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)piperazin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is sourced from PubChem (CID 166263146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).