6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide

C13H18N4O2 — CID 71847473

IUPAC6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C13H18N4O2/c14-12(18)10-3-4-11(16-15-10)17-7-8-19-13(9-17)5-1-2-6-13/h3-4H,1-2,5-9H2,(H2,14,18)
InChIKeyRGVYLDPQICIBSU-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.72
Rot. Bonds2

About 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide

6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide (PubChem CID 71847473) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide
PubChem CID71847473
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C13H18N4O2/c14-12(18)10-3-4-11(16-15-10)17-7-8-19-13(9-17)5-1-2-6-13/h3-4H,1-2,5-9H2,(H2,14,18)
InChIKeyRGVYLDPQICIBSU-UHFFFAOYSA-N
XLogP0.72
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide (CID 71847473) is 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide is NC(=O)c1ccc(N2CCOC3(CCCC3)C2)nn1.
What is the InChIKey of 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide?
The InChIKey is RGVYLDPQICIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(18)10-3-4-11(16-15-10)17-7-8-19-13(9-17)5-1-2-6-13/h3-4H,1-2,5-9H2,(H2,14,18).
What are the key properties of 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide?
6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71847473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).