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

C13H15N3O — CID 71580091

IUPAC5-phenyl-3-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1cc(-c2ccccc2)c(=O)[nH]n1
InChIInChI=1S/C13H15N3O/c1-2-8-14-12-9-11(13(17)16-15-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyIQBGZUYOTBOWHC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds4

About 5-phenyl-3-(propylamino)-1H-pyridazin-6-one

5-phenyl-3-(propylamino)-1H-pyridazin-6-one (PubChem CID 71580091) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-phenyl-3-(propylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-phenyl-3-(propylamino)-1H-pyridazin-6-one
PubChem CID71580091
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-phenyl-3-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1cc(-c2ccccc2)c(=O)[nH]n1
InChIInChI=1S/C13H15N3O/c1-2-8-14-12-9-11(13(17)16-15-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyIQBGZUYOTBOWHC-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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Related Compounds

4-phenyl-3(2H)-pyridazinone
CID 13486209
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)acetamide
CID 71678562
3-amino-5-phenyl-1H-pyridazin-6-one
CID 71678563
4-Benzylamino-1-oxo-1,2-dihydrophthalazine
CID 563626
4-(propylamino)-2H-phthalazin-1-one
CID 12468473
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
CID 71579986
3-(benzylamino)-5-phenyl-1H-pyridazin-6-one
CID 71580090
5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one
CID 71580092
3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one
CID 71580093
4-phenyl-3-(propylamino)-1H-pyridazin-6-one
CID 71716540
3-(benzylamino)-4-phenyl-1H-pyridazin-6-one
CID 71718377
N-(6-oxo-4-phenyl-1H-pyridazin-3-yl)acetamide
CID 71718984

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(propylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-phenyl-3-(propylamino)-1H-pyridazin-6-one (CID 71580091) is 5-phenyl-3-(propylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-phenyl-3-(propylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-phenyl-3-(propylamino)-1H-pyridazin-6-one is CCCNc1cc(-c2ccccc2)c(=O)[nH]n1.
What is the InChIKey of 5-phenyl-3-(propylamino)-1H-pyridazin-6-one?
The InChIKey is IQBGZUYOTBOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-8-14-12-9-11(13(17)16-15-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-phenyl-3-(propylamino)-1H-pyridazin-6-one?
5-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 5-phenyl-3-(propylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 71580091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).