5-(2-aminopropoxy)-2-benzylpyridazin-3-one

C14H17N3O2 — CID 103223013

IUPAC5-(2-aminopropoxy)-2-benzylpyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C14H17N3O2/c1-11(15)10-19-13-7-14(18)17(16-8-13)9-12-5-3-2-4-6-12/h2-8,11H,9-10,15H2,1H3
InChIKeyHKAGSCOWYVMRCD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.02
Rot. Bonds5

About 5-(2-aminopropoxy)-2-benzylpyridazin-3-one

5-(2-aminopropoxy)-2-benzylpyridazin-3-one (PubChem CID 103223013) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-benzylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-benzylpyridazin-3-one
PubChem CID103223013
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2-aminopropoxy)-2-benzylpyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C14H17N3O2/c1-11(15)10-19-13-7-14(18)17(16-8-13)9-12-5-3-2-4-6-12/h2-8,11H,9-10,15H2,1H3
InChIKeyHKAGSCOWYVMRCD-UHFFFAOYSA-N
XLogP1.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-benzylpyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-benzylpyridazin-3-one (CID 103223013) is 5-(2-aminopropoxy)-2-benzylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-benzylpyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-benzylpyridazin-3-one is CC(N)COc1cnn(Cc2ccccc2)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-benzylpyridazin-3-one?
The InChIKey is HKAGSCOWYVMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(15)10-19-13-7-14(18)17(16-8-13)9-12-5-3-2-4-6-12/h2-8,11H,9-10,15H2,1H3.
What are the key properties of 5-(2-aminopropoxy)-2-benzylpyridazin-3-one?
5-(2-aminopropoxy)-2-benzylpyridazin-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-benzylpyridazin-3-one is sourced from PubChem (CID 103223013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).