6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine

C15H21N7 — CID 98848601

IUPAC6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C15H21N7/c1-2-12-9-11(1)10-13(12)20-5-7-21(8-6-20)15-4-3-14-16-18-19-22(14)17-15/h3-4,11-13H,1-2,5-10H2/t11-,12-,13+/m0/s1
InChIKeyNCIMBRLLCYGYJO-RWMBFGLXSA-N
MW299.38 g/mol
LogP0.83
Rot. Bonds2

About 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 98848601) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID98848601
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C15H21N7/c1-2-12-9-11(1)10-13(12)20-5-7-21(8-6-20)15-4-3-14-16-18-19-22(14)17-15/h3-4,11-13H,1-2,5-10H2/t11-,12-,13+/m0/s1
InChIKeyNCIMBRLLCYGYJO-RWMBFGLXSA-N
XLogP0.83
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133344299
(3aS,9aS,9bR)-2-(tetrazolo[1,5-b]pyridazin-6-yl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine
CID 98847689
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
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
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
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-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582431
ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
CID 177329248
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 86773031

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine (CID 98848601) is 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine is c1cc2nnnn2nc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is NCIMBRLLCYGYJO-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H21N7/c1-2-12-9-11(1)10-13(12)20-5-7-21(8-6-20)15-4-3-14-16-18-19-22(14)17-15/h3-4,11-13H,1-2,5-10H2/t11-,12-,13+/m0/s1.
What are the key properties of 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 299.38 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 98848601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).