4-phenyl-3-(propylamino)-1H-pyridazin-6-one

C13H15N3O — CID 71716540

IUPAC4-phenyl-3-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1n[nH]c(=O)cc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-8-14-13-11(9-12(17)15-16-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyZZTSHIGDKBBFPG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds4

About 4-phenyl-3-(propylamino)-1H-pyridazin-6-one

4-phenyl-3-(propylamino)-1H-pyridazin-6-one (PubChem CID 71716540) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-phenyl-3-(propylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-phenyl-3-(propylamino)-1H-pyridazin-6-one
PubChem CID71716540
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-phenyl-3-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1n[nH]c(=O)cc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-8-14-13-11(9-12(17)15-16-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyZZTSHIGDKBBFPG-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(propylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-phenyl-3-(propylamino)-1H-pyridazin-6-one (CID 71716540) is 4-phenyl-3-(propylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-phenyl-3-(propylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-phenyl-3-(propylamino)-1H-pyridazin-6-one is CCCNc1n[nH]c(=O)cc1-c1ccccc1.
What is the InChIKey of 4-phenyl-3-(propylamino)-1H-pyridazin-6-one?
The InChIKey is ZZTSHIGDKBBFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-8-14-13-11(9-12(17)15-16-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-phenyl-3-(propylamino)-1H-pyridazin-6-one?
4-phenyl-3-(propylamino)-1H-pyridazin-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(propylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 71716540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).