6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide

C11H14N4O2 — CID 80731683

IUPAC6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)NC2CC3CCC2O3)nn1
InChIInChI=1S/C11H14N4O2/c12-10-4-2-7(14-15-10)11(16)13-8-5-6-1-3-9(8)17-6/h2,4,6,8-9H,1,3,5H2,(H2,12,15)(H,13,16)
InChIKeyGEYSDSNSVJZAIZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.11
Rot. Bonds2

About 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide

6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide (PubChem CID 80731683) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide
PubChem CID80731683
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)NC2CC3CCC2O3)nn1
InChIInChI=1S/C11H14N4O2/c12-10-4-2-7(14-15-10)11(16)13-8-5-6-1-3-9(8)17-6/h2,4,6,8-9H,1,3,5H2,(H2,12,15)(H,13,16)
InChIKeyGEYSDSNSVJZAIZ-UHFFFAOYSA-N
XLogP0.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide (CID 80731683) is 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide is Nc1ccc(C(=O)NC2CC3CCC2O3)nn1.
What is the InChIKey of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide?
The InChIKey is GEYSDSNSVJZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-10-4-2-7(14-15-10)11(16)13-8-5-6-1-3-9(8)17-6/h2,4,6,8-9H,1,3,5H2,(H2,12,15)(H,13,16).
What are the key properties of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide?
6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 80731683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).