2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one

C12H19N3O2 — CID 103220197

IUPAC2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC2CCCO2)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-2-5-13-10-7-12(16)15(14-8-10)9-11-4-3-6-17-11/h7-8,11,13H,2-6,9H2,1H3
InChIKeyCHYBVFFVMCFAIC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.24
Rot. Bonds5

About 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one

2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220197) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220197
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC2CCCO2)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-2-5-13-10-7-12(16)15(14-8-10)9-11-4-3-6-17-11/h7-8,11,13H,2-6,9H2,1H3
InChIKeyCHYBVFFVMCFAIC-UHFFFAOYSA-N
XLogP1.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one (CID 103220197) is 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CC2CCCO2)c(=O)c1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is CHYBVFFVMCFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-13-10-7-12(16)15(14-8-10)9-11-4-3-6-17-11/h7-8,11,13H,2-6,9H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).