6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine

C11H16N6 — CID 26007594

IUPAC6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESC[C@H]1C[C@H](C)CN(c2ccc3nnnn3n2)C1
InChIInChI=1S/C11H16N6/c1-8-5-9(2)7-16(6-8)11-4-3-10-12-14-15-17(10)13-11/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyLSHVOALCNUNMQG-IUCAKERBSA-N
MW232.29 g/mol
LogP1.00
Rot. Bonds1

About 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 26007594) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID26007594
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESC[C@H]1C[C@H](C)CN(c2ccc3nnnn3n2)C1
InChIInChI=1S/C11H16N6/c1-8-5-9(2)7-16(6-8)11-4-3-10-12-14-15-17(10)13-11/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyLSHVOALCNUNMQG-IUCAKERBSA-N
XLogP1.00
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine
CID 114042524
[6-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholin-2-yl]methanol
CID 102935234
2-methyl-6-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 47983394
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine
CID 102683928
3-(difluoromethyl)-6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133365890
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 94546899
6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine
CID 133463961
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 26007594) is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine is C[C@H]1C[C@H](C)CN(c2ccc3nnnn3n2)C1.
What is the InChIKey of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is LSHVOALCNUNMQG-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-5-9(2)7-16(6-8)11-4-3-10-12-14-15-17(10)13-11/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 232.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 26007594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).