2-pyridazin-4-yl-2-azaspiro[3.4]octane

C11H15N3 — CID 156722253

IUPAC2-pyridazin-4-yl-2-azaspiro[3.4]octane
SMILESc1cc(N2CC3(CCCC3)C2)cnn1
InChIInChI=1S/C11H15N3/c1-2-5-11(4-1)8-14(9-11)10-3-6-12-13-7-10/h3,6-7H,1-2,4-5,8-9H2
InChIKeyGHALDGFVFTUQIQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.86
Rot. Bonds1

About 2-pyridazin-4-yl-2-azaspiro[3.4]octane

2-pyridazin-4-yl-2-azaspiro[3.4]octane (PubChem CID 156722253) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-pyridazin-4-yl-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-pyridazin-4-yl-2-azaspiro[3.4]octane
PubChem CID156722253
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-pyridazin-4-yl-2-azaspiro[3.4]octane
SMILESc1cc(N2CC3(CCCC3)C2)cnn1
InChIInChI=1S/C11H15N3/c1-2-5-11(4-1)8-14(9-11)10-3-6-12-13-7-10/h3,6-7H,1-2,4-5,8-9H2
InChIKeyGHALDGFVFTUQIQ-UHFFFAOYSA-N
XLogP1.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-yl-2-azaspiro[3.4]octane?
The IUPAC name of 2-pyridazin-4-yl-2-azaspiro[3.4]octane (CID 156722253) is 2-pyridazin-4-yl-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-pyridazin-4-yl-2-azaspiro[3.4]octane?
The canonical SMILES for 2-pyridazin-4-yl-2-azaspiro[3.4]octane is c1cc(N2CC3(CCCC3)C2)cnn1.
What is the InChIKey of 2-pyridazin-4-yl-2-azaspiro[3.4]octane?
The InChIKey is GHALDGFVFTUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-5-11(4-1)8-14(9-11)10-3-6-12-13-7-10/h3,6-7H,1-2,4-5,8-9H2.
What are the key properties of 2-pyridazin-4-yl-2-azaspiro[3.4]octane?
2-pyridazin-4-yl-2-azaspiro[3.4]octane has a molecular weight of 189.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-yl-2-azaspiro[3.4]octane is sourced from PubChem (CID 156722253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).