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

C14H23N3O2 — CID 103219578

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC2CCC(C)(C)O2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-10(2)16-11-7-13(18)17(15-8-11)9-12-5-6-14(3,4)19-12/h7-8,10,12,16H,5-6,9H2,1-4H3
InChIKeyRWSLSPJJSMJMKK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.02
Rot. Bonds4

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

2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219578) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219578
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC2CCC(C)(C)O2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-10(2)16-11-7-13(18)17(15-8-11)9-12-5-6-14(3,4)19-12/h7-8,10,12,16H,5-6,9H2,1-4H3
InChIKeyRWSLSPJJSMJMKK-UHFFFAOYSA-N
XLogP2.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.02
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-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (CID 103219578) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CC2CCC(C)(C)O2)c(=O)c1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is RWSLSPJJSMJMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)16-11-7-13(18)17(15-8-11)9-12-5-6-14(3,4)19-12/h7-8,10,12,16H,5-6,9H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 2.02, 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-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).