6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one

C9H13N3O2 — CID 130874859

IUPAC6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC2CCOC2)n1
InChIInChI=1S/C9H13N3O2/c10-8-1-2-9(13)12(11-8)5-7-3-4-14-6-7/h1-2,7H,3-6H2,(H2,10,11)
InChIKeyCORKJAVQWRTEQD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.14
Rot. Bonds2

About 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one

6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one (PubChem CID 130874859) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one
PubChem CID130874859
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC2CCOC2)n1
InChIInChI=1S/C9H13N3O2/c10-8-1-2-9(13)12(11-8)5-7-3-4-14-6-7/h1-2,7H,3-6H2,(H2,10,11)
InChIKeyCORKJAVQWRTEQD-UHFFFAOYSA-N
XLogP-0.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one (CID 130874859) is 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one is Nc1ccc(=O)n(CC2CCOC2)n1.
What is the InChIKey of 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one?
The InChIKey is CORKJAVQWRTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-8-1-2-9(13)12(11-8)5-7-3-4-14-6-7/h1-2,7H,3-6H2,(H2,10,11).
What are the key properties of 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one?
6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(oxolan-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 130874859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).