2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one

C15H18N6O2 — CID 121178227

IUPAC2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C15H18N6O2/c22-14-2-1-5-16-19(14)10-15(23)20-11-3-4-12(20)9-13(8-11)21-17-6-7-18-21/h1-2,5-7,11-13H,3-4,8-10H2
InChIKeyCYVWWRXOOGBXOQ-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.23
Rot. Bonds3

About 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one

2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one (PubChem CID 121178227) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one
PubChem CID121178227
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C15H18N6O2/c22-14-2-1-5-16-19(14)10-15(23)20-11-3-4-12(20)9-13(8-11)21-17-6-7-18-21/h1-2,5-7,11-13H,3-4,8-10H2
InChIKeyCYVWWRXOOGBXOQ-UHFFFAOYSA-N
XLogP0.23
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one (CID 121178227) is 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1C2CCC1CC(n1nccn1)C2.
What is the InChIKey of 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one?
The InChIKey is CYVWWRXOOGBXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14-2-1-5-16-19(14)10-15(23)20-11-3-4-12(20)9-13(8-11)21-17-6-7-18-21/h1-2,5-7,11-13H,3-4,8-10H2.
What are the key properties of 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one?
2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one has a molecular weight of 314.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 121178227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).