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

C11H14N6O2 — CID 107070428

IUPAC3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid
SMILESCC1CCCN(c2ccc3nnnn3n2)C1C(=O)O
InChIInChI=1S/C11H14N6O2/c1-7-3-2-6-16(10(7)11(18)19)9-5-4-8-12-14-15-17(8)13-9/h4-5,7,10H,2-3,6H2,1H3,(H,18,19)
InChIKeyBCPDYOIKJYTQDZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.21
Rot. Bonds2

About 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid

3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid (PubChem CID 107070428) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid
PubChem CID107070428
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid
SMILESCC1CCCN(c2ccc3nnnn3n2)C1C(=O)O
InChIInChI=1S/C11H14N6O2/c1-7-3-2-6-16(10(7)11(18)19)9-5-4-8-12-14-15-17(8)13-9/h4-5,7,10H,2-3,6H2,1H3,(H,18,19)
InChIKeyBCPDYOIKJYTQDZ-UHFFFAOYSA-N
XLogP0.21
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate
CID 115538219
6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine
CID 133463961
3-methyl-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-2-carboxylic acid
CID 107070403
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070377
6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 80675891
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
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
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896343
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
(2S)-4-methyl-2-[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119361368
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid (CID 107070428) is 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid is CC1CCCN(c2ccc3nnnn3n2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid?
The InChIKey is BCPDYOIKJYTQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-7-3-2-6-16(10(7)11(18)19)9-5-4-8-12-14-15-17(8)13-9/h4-5,7,10H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid?
3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107070428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).