3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H15F2N5 — CID 133365897

IUPAC3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCCN(c2ccc3nnc(C(F)F)n3n2)C1
InChIInChI=1S/C12H15F2N5/c1-8-3-2-6-18(7-8)10-5-4-9-15-16-12(11(13)14)19(9)17-10/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyGXKBSVIDEKEXBD-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.30
Rot. Bonds2

About 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133365897) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133365897
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCCN(c2ccc3nnc(C(F)F)n3n2)C1
InChIInChI=1S/C12H15F2N5/c1-8-3-2-6-18(7-8)10-5-4-9-15-16-12(11(13)14)19(9)17-10/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyGXKBSVIDEKEXBD-UHFFFAOYSA-N
XLogP2.30
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133365890
3-(difluoromethyl)-6-(2,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133428251
3-(difluoromethyl)-6-(3-prop-2-enoxypyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133465360
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
1-[[1-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methyl]piperidin-2-one
CID 133427836
3-(difluoromethyl)-6-[2-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133429069
3-(difluoromethyl)-6-[4-[[4-(difluoromethyl)phenyl]methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149757
3-(difluoromethyl)-6-[(2S)-2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 125420503
(3S)-N-(4-fluorophenyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310763
N-cyclooctyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42655620
(3S)-N-(4-acetamidophenyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39352624
3-(difluoromethyl)-6-[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99849473

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 133365897) is 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CC1CCCN(c2ccc3nnc(C(F)F)n3n2)C1.
What is the InChIKey of 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GXKBSVIDEKEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-8-3-2-6-18(7-8)10-5-4-9-15-16-12(11(13)14)19(9)17-10/h4-5,8,11H,2-3,6-7H2,1H3.
What are the key properties of 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 267.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133365897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).