6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C15H15F3N8O — CID 146074588

IUPAC6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)ncn1
InChIInChI=1S/C15H15F3N8O/c1-27-13-8-12(19-9-20-13)25-6-4-24(5-7-25)11-3-2-10-21-22-14(15(16,17)18)26(10)23-11/h2-3,8-9H,4-7H2,1H3
InChIKeyJXQYOAWJBRGUPU-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.27
Rot. Bonds3

About 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 146074588) has the molecular formula C15H15F3N8O and a molecular weight of 380.33 g/mol. Its IUPAC name is 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID146074588
Molecular FormulaC15H15F3N8O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC Name6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)ncn1
InChIInChI=1S/C15H15F3N8O/c1-27-13-8-12(19-9-20-13)25-6-4-24(5-7-25)11-3-2-10-21-22-14(15(16,17)18)26(10)23-11/h2-3,8-9H,4-7H2,1H3
InChIKeyJXQYOAWJBRGUPU-UHFFFAOYSA-N
XLogP1.27
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133458702
6-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 163348814
6-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975615
6-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172892401
6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149727
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1252245
6-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 154576000
4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]benzoic acid
CID 67340981
6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340876
N-(3,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-amine
CID 133362377
2-methoxy-1-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-1-yl]ethanone
CID 138988937
4-(4-chlorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
CID 155980437

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 146074588) is 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1cc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)ncn1.
What is the InChIKey of 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JXQYOAWJBRGUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8O/c1-27-13-8-12(19-9-20-13)25-6-4-24(5-7-25)11-3-2-10-21-22-14(15(16,17)18)26(10)23-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 380.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 146074588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).