4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine

C15H15F2N5O2 — CID 133429124

IUPAC4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2COCCN2c2ccc3nnc(C(F)F)n3n2)o1
InChIInChI=1S/C15H15F2N5O2/c1-9-2-3-11(24-9)10-8-23-7-6-21(10)13-5-4-12-18-19-15(14(16)17)22(12)20-13/h2-5,10,14H,6-8H2,1H3
InChIKeyIWAJQTFXRPTYKU-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.54
Rot. Bonds3

About 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine

4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine (PubChem CID 133429124) has the molecular formula C15H15F2N5O2 and a molecular weight of 335.31 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine
PubChem CID133429124
Molecular FormulaC15H15F2N5O2
Molecular Weight335.31 g/mol
Exact Mass335.12
IUPAC Name4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2COCCN2c2ccc3nnc(C(F)F)n3n2)o1
InChIInChI=1S/C15H15F2N5O2/c1-9-2-3-11(24-9)10-8-23-7-6-21(10)13-5-4-12-18-19-15(14(16)17)22(12)20-13/h2-5,10,14H,6-8H2,1H3
InChIKeyIWAJQTFXRPTYKU-UHFFFAOYSA-N
XLogP2.54
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(difluoromethyl)-6-[2-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133429069
3-(difluoromethyl)-6-(2,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133428251
3-(difluoromethyl)-6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133365890
4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine
CID 133489518
4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 133430043
3-(difluoromethyl)-6-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133429089
3-(difluoromethyl)-6-[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99849473
3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 84593763
3-(difluoromethyl)-6-[(2S)-2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 125420503
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine
CID 133403948
2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976917
3-(difluoromethyl)-6-[4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149783

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine?
The IUPAC name of 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine (CID 133429124) is 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine is Cc1ccc(C2COCCN2c2ccc3nnc(C(F)F)n3n2)o1.
What is the InChIKey of 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine?
The InChIKey is IWAJQTFXRPTYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2/c1-9-2-3-11(24-9)10-8-23-7-6-21(10)13-5-4-12-18-19-15(14(16)17)22(12)20-13/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine?
4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine has a molecular weight of 335.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 133429124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).