6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one

C16H20N4O — CID 82105386

IUPAC6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2ccc(N3CCCC3)c(N)c2)ccc1=O
InChIInChI=1S/C16H20N4O/c1-2-20-16(21)8-6-14(18-20)12-5-7-15(13(17)11-12)19-9-3-4-10-19/h5-8,11H,2-4,9-10,17H2,1H3
InChIKeyLLPXZTCKESKIII-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.11
Rot. Bonds3

About 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one

6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one (PubChem CID 82105386) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one
PubChem CID82105386
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(-c2ccc(N3CCCC3)c(N)c2)ccc1=O
InChIInChI=1S/C16H20N4O/c1-2-20-16(21)8-6-14(18-20)12-5-7-15(13(17)11-12)19-9-3-4-10-19/h5-8,11H,2-4,9-10,17H2,1H3
InChIKeyLLPXZTCKESKIII-UHFFFAOYSA-N
XLogP2.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
CID 82105419
6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105345
6-(5-amino-1,3,4-thiadiazol-2-yl)-2-ethylpyridazin-3-one
CID 82442212
3-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105447
2-ethyl-6-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]pyridazin-3-one
CID 95092794
3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one
CID 25249937
2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
CID 41376665
ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate
CID 7658883
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
CID 154114930
4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide
CID 53135057
6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
CID 82105402

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one (CID 82105386) is 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one is CCn1nc(-c2ccc(N3CCCC3)c(N)c2)ccc1=O.
What is the InChIKey of 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one?
The InChIKey is LLPXZTCKESKIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20-16(21)8-6-14(18-20)12-5-7-15(13(17)11-12)19-9-3-4-10-19/h5-8,11H,2-4,9-10,17H2,1H3.
What are the key properties of 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one?
6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one has a molecular weight of 284.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82105386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).