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

C19H19FN6O — CID 154583892

IUPAC(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nnc(C3CC3)n2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19FN6O/c20-14-3-1-2-4-16(14)24-9-11-25(12-10-24)19(27)15-7-8-17-21-22-18(13-5-6-13)26(17)23-15/h1-4,7-8,13H,5-6,9-12H2
InChIKeyAIVBQIFGIFUMDQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.10
Rot. Bonds3

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

(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 154583892) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID154583892
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nnc(C3CC3)n2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19FN6O/c20-14-3-1-2-4-16(14)24-9-11-25(12-10-24)19(27)15-7-8-17-21-22-18(13-5-6-13)26(17)23-15/h1-4,7-8,13H,5-6,9-12H2
InChIKeyAIVBQIFGIFUMDQ-UHFFFAOYSA-N
XLogP2.10
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 154854125
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanone
CID 50783327
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
(2-chlorophenyl)-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134803166
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124044
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
CID 45284437
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35294439

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 154583892) is (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc2nnc(C3CC3)n2n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is AIVBQIFGIFUMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-14-3-1-2-4-16(14)24-9-11-25(12-10-24)19(27)15-7-8-17-21-22-18(13-5-6-13)26(17)23-15/h1-4,7-8,13H,5-6,9-12H2.
What are the key properties of (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 366.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 154583892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).