8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

C11H16N4O — CID 66212336

IUPAC8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1cccnn1
InChIInChI=1S/C11H16N4O/c12-9-7-3-2-6-16-11(7)10(9)14-8-4-1-5-13-15-8/h1,4-5,7,9-11H,2-3,6,12H2,(H,14,15)
InChIKeyMNKBIRNIBDXEAP-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.39
Rot. Bonds2

About 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 66212336) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID66212336
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1cccnn1
InChIInChI=1S/C11H16N4O/c12-9-7-3-2-6-16-11(7)10(9)14-8-4-1-5-13-15-8/h1,4-5,7,9-11H,2-3,6,12H2,(H,14,15)
InChIKeyMNKBIRNIBDXEAP-UHFFFAOYSA-N
XLogP0.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 66212336) is 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is NC1C2CCCOC2C1Nc1cccnn1.
What is the InChIKey of 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is MNKBIRNIBDXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-9-7-3-2-6-16-11(7)10(9)14-8-4-1-5-13-15-8/h1,4-5,7,9-11H,2-3,6,12H2,(H,14,15).
What are the key properties of 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-pyridazin-3-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 66212336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).