2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one

C13H21N3O2 — CID 103219200

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CC2CCC(C)(C)O2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-4-14-10-7-12(17)16(15-8-10)9-11-5-6-13(2,3)18-11/h7-8,11,14H,4-6,9H2,1-3H3
InChIKeyJYYYOIPGNRHKKT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.63
Rot. Bonds4

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one

2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one (PubChem CID 103219200) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one
PubChem CID103219200
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CC2CCC(C)(C)O2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-4-14-10-7-12(17)16(15-8-10)9-11-5-6-13(2,3)18-11/h7-8,11,14H,4-6,9H2,1-3H3
InChIKeyJYYYOIPGNRHKKT-UHFFFAOYSA-N
XLogP1.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one (CID 103219200) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one is CCNc1cnn(CC2CCC(C)(C)O2)c(=O)c1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one?
The InChIKey is JYYYOIPGNRHKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-14-10-7-12(17)16(15-8-10)9-11-5-6-13(2,3)18-11/h7-8,11,14H,4-6,9H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one?
2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(ethylamino)pyridazin-3-one is sourced from PubChem (CID 103219200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).