6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C15H23N7 — CID 94135439

IUPAC6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESC[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ccc3nnnn3n2)C1
InChIInChI=1S/C15H23N7/c1-11-5-6-12(2)21(11)13-4-3-9-20(10-13)15-8-7-14-16-18-19-22(14)17-15/h7-8,11-13H,3-6,9-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyWJYRWUFJXQGEEP-FRRDWIJNSA-N
MW301.40 g/mol
LogP1.36
Rot. Bonds2

About 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 94135439) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID94135439
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESC[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ccc3nnnn3n2)C1
InChIInChI=1S/C15H23N7/c1-11-5-6-12(2)21(11)13-4-3-9-20(10-13)15-8-7-14-16-18-19-22(14)17-15/h7-8,11-13H,3-6,9-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyWJYRWUFJXQGEEP-FRRDWIJNSA-N
XLogP1.36
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine with MolForge

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Related Compounds

6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 71933519
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 24590309
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid
CID 107070428
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279638
6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine
CID 133463961
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
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine-2-carboxamide
CID 177329084

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 94135439) is 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine is C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ccc3nnnn3n2)C1.
What is the InChIKey of 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is WJYRWUFJXQGEEP-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H23N7/c1-11-5-6-12(2)21(11)13-4-3-9-20(10-13)15-8-7-14-16-18-19-22(14)17-15/h7-8,11-13H,3-6,9-10H2,1-2H3/t11-,12+,13-/m1/s1.
What are the key properties of 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 301.40 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 94135439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).