6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C16H25N7 — CID 71933519

IUPAC6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1CCCC(CN2CCCCCC2)C1
InChIInChI=1S/C16H25N7/c1-2-4-10-21(9-3-1)12-14-6-5-11-22(13-14)16-8-7-15-17-19-20-23(15)18-16/h7-8,14H,1-6,9-13H2
InChIKeyAGVLFMGGBREXCD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.61
Rot. Bonds3

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

6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 71933519) has the molecular formula C16H25N7 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID71933519
Molecular FormulaC16H25N7
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC Name6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1CCCC(CN2CCCCCC2)C1
InChIInChI=1S/C16H25N7/c1-2-4-10-21(9-3-1)12-14-6-5-11-22(13-14)16-8-7-15-17-19-20-23(15)18-16/h7-8,14H,1-6,9-13H2
InChIKeyAGVLFMGGBREXCD-UHFFFAOYSA-N
XLogP1.61
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279638
6-[(3R)-3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 97075061
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
(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
4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70748577
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-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 24590309
N-[1-(cyclopentylmethyl)piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56821952
5-(methylsulfanylmethyl)-2-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 96582044
(3S)-N-[(1-methylpyrrol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 97265936

Frequently Asked Questions

What is the IUPAC name of 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 71933519) is 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is c1cc2nnnn2nc1N1CCCC(CN2CCCCCC2)C1.
What is the InChIKey of 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is AGVLFMGGBREXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-2-4-10-21(9-3-1)12-14-6-5-11-22(13-14)16-8-7-15-17-19-20-23(15)18-16/h7-8,14H,1-6,9-13H2.
What are the key properties of 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 315.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 71933519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).