6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C16H18N6O — CID 133279385

IUPAC6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCOc1cccc(C2CCN(c3ccc4nnnn4n3)CC2)c1
InChIInChI=1S/C16H18N6O/c1-23-14-4-2-3-13(11-14)12-7-9-21(10-8-12)16-6-5-15-17-19-20-22(15)18-16/h2-6,11-12H,7-10H2,1H3
InChIKeyFSHJLNSOJMUWIU-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.91
Rot. Bonds3

About 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 133279385) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID133279385
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCOc1cccc(C2CCN(c3ccc4nnnn4n3)CC2)c1
InChIInChI=1S/C16H18N6O/c1-23-14-4-2-3-13(11-14)12-7-9-21(10-8-12)16-6-5-15-17-19-20-22(15)18-16/h2-6,11-12H,7-10H2,1H3
InChIKeyFSHJLNSOJMUWIU-UHFFFAOYSA-N
XLogP1.91
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine
CID 133279366
ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
CID 177329248
6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 86773031
2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine
CID 133469302
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
6-[4-(1H-indol-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 134036776
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
CID 133405273
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 133279385) is 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is COc1cccc(C2CCN(c3ccc4nnnn4n3)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is FSHJLNSOJMUWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-23-14-4-2-3-13(11-14)12-7-9-21(10-8-12)16-6-5-15-17-19-20-22(15)18-16/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 310.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 133279385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).