6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C14H18N8 — CID 86773031

IUPAC6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCCn1cc(C2CCN(c3ccc4nnnn4n3)CC2)cn1
InChIInChI=1S/C14H18N8/c1-2-21-10-12(9-15-21)11-5-7-20(8-6-11)14-4-3-13-16-18-19-22(13)17-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyYUFHXPUGLBSSQJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.12
Rot. Bonds3

About 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 86773031) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID86773031
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCCn1cc(C2CCN(c3ccc4nnnn4n3)CC2)cn1
InChIInChI=1S/C14H18N8/c1-2-21-10-12(9-15-21)11-5-7-20(8-6-11)14-4-3-13-16-18-19-22(13)17-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyYUFHXPUGLBSSQJ-UHFFFAOYSA-N
XLogP1.12
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
CID 177329248
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
CID 86773032
6-(4-ethoxy-4-methylpiperidin-1-yl)tetrazolo[1,5-b]pyridazine
CID 146128446
6-[4-(1H-indol-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 134036776
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
N-[(4-tert-butylphenyl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166198550
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 127303052
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 86773031) is 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is CCn1cc(C2CCN(c3ccc4nnnn4n3)CC2)cn1.
What is the InChIKey of 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is YUFHXPUGLBSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-2-21-10-12(9-15-21)11-5-7-20(8-6-11)14-4-3-13-16-18-19-22(13)17-14/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 298.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 86773031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).