5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

C13H19N3O2 — CID 103219794

IUPAC5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(NC3CC3)cc2=O)O1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-12(18-9)8-16-13(17)6-11(7-14-16)15-10-3-4-10/h6-7,9-10,12,15H,2-5,8H2,1H3
InChIKeyFITZQWFLUYCEBV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.39
Rot. Bonds4

About 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103219794) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103219794
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(NC3CC3)cc2=O)O1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-12(18-9)8-16-13(17)6-11(7-14-16)15-10-3-4-10/h6-7,9-10,12,15H,2-5,8H2,1H3
InChIKeyFITZQWFLUYCEBV-UHFFFAOYSA-N
XLogP1.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (CID 103219794) is 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is CC1CCC(Cn2ncc(NC3CC3)cc2=O)O1.
What is the InChIKey of 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is FITZQWFLUYCEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-2-5-12(18-9)8-16-13(17)6-11(7-14-16)15-10-3-4-10/h6-7,9-10,12,15H,2-5,8H2,1H3.
What are the key properties of 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103219794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).