3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C16H23N5 — CID 166293637

IUPAC3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCC(C)(C)CN1c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C16H23N5/c1-11-8-9-16(2,3)10-20(11)14-7-6-13-17-18-15(12-4-5-12)21(13)19-14/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyXZLQIPOUBIBRFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.02
Rot. Bonds2

About 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166293637) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166293637
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCC(C)(C)CN1c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C16H23N5/c1-11-8-9-16(2,3)10-20(11)14-7-6-13-17-18-15(12-4-5-12)21(13)19-14/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyXZLQIPOUBIBRFL-UHFFFAOYSA-N
XLogP3.02
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166279008
3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166183359
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine
CID 97260429
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974609
3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133333569
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
3-(difluoromethyl)-6-(2,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133428251
3-cyclopropyl-6-[2-(2-phenylethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133406824
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylcyclopentanecarboxamide
CID 126922102
6-(4-bromo-5-methyl-1,3-dihydroisoindol-2-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 166243720

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 166293637) is 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CC1CCC(C)(C)CN1c1ccc2nnc(C3CC3)n2n1.
What is the InChIKey of 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XZLQIPOUBIBRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-8-9-16(2,3)10-20(11)14-7-6-13-17-18-15(12-4-5-12)21(13)19-14/h6-7,11-12H,4-5,8-10H2,1-3H3.
What are the key properties of 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 285.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166293637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).