(4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone

C18H19FN6O — CID 134797228

IUPAC(4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(F)cc3)c3nncn3n2)CC1
InChIInChI=1S/C18H19FN6O/c1-2-23-7-9-24(10-8-23)18(26)16-11-15(13-3-5-14(19)6-4-13)17-21-20-12-25(17)22-16/h3-6,11-12H,2,7-10H2,1H3
InChIKeyODCMIYRVSVMZRY-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.71
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone

(4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone (PubChem CID 134797228) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone
PubChem CID134797228
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name(4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(F)cc3)c3nncn3n2)CC1
InChIInChI=1S/C18H19FN6O/c1-2-23-7-9-24(10-8-23)18(26)16-11-15(13-3-5-14(19)6-4-13)17-21-20-12-25(17)22-16/h3-6,11-12H,2,7-10H2,1H3
InChIKeyODCMIYRVSVMZRY-UHFFFAOYSA-N
XLogP1.71
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3,3-Difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471136
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 5207625
4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 117977934
2-[(4-Benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 1100830
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895720
2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2-Yl}-2,3-Dihydro-1h-Isoindol-1-One
CID 127053602
N,N-diethyl-2-[2-(4-fluorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
CID 44197027
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide
CID 134149469
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-2-methylbenzamide
CID 7217775

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone (CID 134797228) is (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone is CCN1CCN(C(=O)c2cc(-c3ccc(F)cc3)c3nncn3n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone?
The InChIKey is ODCMIYRVSVMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-2-23-7-9-24(10-8-23)18(26)16-11-15(13-3-5-14(19)6-4-13)17-21-20-12-25(17)22-16/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone?
(4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone has a molecular weight of 354.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanone is sourced from PubChem (CID 134797228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).