6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C10H13BrN6 — CID 80675891

IUPAC6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESBrCC1CCCCN1c1ccc2nnnn2n1
InChIInChI=1S/C10H13BrN6/c11-7-8-3-1-2-6-16(8)10-5-4-9-12-14-15-17(9)13-10/h4-5,8H,1-3,6-7H2
InChIKeyZMRTVTBHQYCHFW-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.27
Rot. Bonds2

About 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 80675891) has the molecular formula C10H13BrN6 and a molecular weight of 297.16 g/mol. Its IUPAC name is 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID80675891
Molecular FormulaC10H13BrN6
Molecular Weight297.16 g/mol
Exact Mass296.04
IUPAC Name6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESBrCC1CCCCN1c1ccc2nnnn2n1
InChIInChI=1S/C10H13BrN6/c11-7-8-3-1-2-6-16(8)10-5-4-9-12-14-15-17(9)13-10/h4-5,8H,1-3,6-7H2
InChIKeyZMRTVTBHQYCHFW-UHFFFAOYSA-N
XLogP1.27
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 80675891) is 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is BrCC1CCCCN1c1ccc2nnnn2n1.
What is the InChIKey of 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is ZMRTVTBHQYCHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6/c11-7-8-3-1-2-6-16(8)10-5-4-9-12-14-15-17(9)13-10/h4-5,8H,1-3,6-7H2.
What are the key properties of 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 297.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 80675891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).