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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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).