methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate

C11H14N6O2 — CID 115538219

IUPACmethyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccc2nnnn2n1
InChIInChI=1S/C11H14N6O2/c1-19-11(18)8-4-2-3-7-16(8)10-6-5-9-12-14-15-17(9)13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyZDZMYDXWXNECFW-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.05
Rot. Bonds2

About methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate

methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate (PubChem CID 115538219) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate
PubChem CID115538219
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Namemethyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccc2nnnn2n1
InChIInChI=1S/C11H14N6O2/c1-19-11(18)8-4-2-3-7-16(8)10-6-5-9-12-14-15-17(9)13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyZDZMYDXWXNECFW-UHFFFAOYSA-N
XLogP0.05
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid
CID 107070428
methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate
CID 115538236
6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 80675891
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl (2R)-1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidine-2-carboxylate
CID 100653640
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl 1-(5-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473976

Frequently Asked Questions

What is the IUPAC name of methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate (CID 115538219) is methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1ccc2nnnn2n1.
What is the InChIKey of methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate?
The InChIKey is ZDZMYDXWXNECFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-19-11(18)8-4-2-3-7-16(8)10-6-5-9-12-14-15-17(9)13-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate?
methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).