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

C7H11N3O — CID 13274963

IUPAC3-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C7H11N3O/c1-2-5-8-6-3-4-7(11)10-9-6/h3-4H,2,5H2,1H3,(H,8,9)(H,10,11)
InChIKeyVEXUQMBGHISZTG-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.59
Rot. Bonds3

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

3-(propylamino)-1H-pyridazin-6-one (PubChem CID 13274963) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-(propylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(propylamino)-1H-pyridazin-6-one
PubChem CID13274963
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C7H11N3O/c1-2-5-8-6-3-4-7(11)10-9-6/h3-4H,2,5H2,1H3,(H,8,9)(H,10,11)
InChIKeyVEXUQMBGHISZTG-UHFFFAOYSA-N
XLogP0.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Pyrrolidin-1-ylpyridazin-3-ol
CID 13103526
N,N-dimethyl-3-[(3-oxo-2,3-dihydropyridazin-6-yl)amino]propanamide
CID 155801723
6-((2,2,2-Trifluoroethyl)amino)pyridazin-3-ol
CID 121205025
3-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 133622184
6-dimethylamino-2H-pyridazin-3-one
CID 12758394
6-(Methylamino)pyridazin-3(2H)-one
CID 13274961
6-(Ethylamino)pyridazin-3(2H)-one
CID 13274962
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
6-Amino-2-ethylpyridazin-3(2H)-one
CID 19739706
2-Methyl-6-(methylamino)pyridazin-3-one
CID 21751358
6-(Diethylamino)pyridazin-3(2H)-one
CID 70522275
N-(6-Oxo-1,6-dihydropyridazin-3-yl)acetamide
CID 71409623

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(propylamino)-1H-pyridazin-6-one (CID 13274963) is 3-(propylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(propylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(propylamino)-1H-pyridazin-6-one is CCCNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(propylamino)-1H-pyridazin-6-one?
The InChIKey is VEXUQMBGHISZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-5-8-6-3-4-7(11)10-9-6/h3-4H,2,5H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-(propylamino)-1H-pyridazin-6-one?
3-(propylamino)-1H-pyridazin-6-one has a molecular weight of 153.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 13274963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).