5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one

C15H20N4O — CID 103221075

IUPAC5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
SMILESNCCNc1cnn(CCCc2ccccc2)c(=O)c1
InChIInChI=1S/C15H20N4O/c16-8-9-17-14-11-15(20)19(18-12-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,17H,4,7-10,16H2
InChIKeySEQKTSRKXWHVGI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.25
Rot. Bonds7

About 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one (PubChem CID 103221075) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
PubChem CID103221075
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
SMILESNCCNc1cnn(CCCc2ccccc2)c(=O)c1
InChIInChI=1S/C15H20N4O/c16-8-9-17-14-11-15(20)19(18-12-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,17H,4,7-10,16H2
InChIKeySEQKTSRKXWHVGI-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103221065
5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
CID 103221268
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
5-(2-aminoethylamino)-2-[(4-chloro-2-fluorophenyl)methyl]pyridazin-3-one
CID 103221049
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220259
5-(2-aminoethylamino)-2-[(1-ethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103221289
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103220996
5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221223
3-[[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]methyl]-4-fluorobenzonitrile
CID 103221255
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one (CID 103221075) is 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one is NCCNc1cnn(CCCc2ccccc2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one?
The InChIKey is SEQKTSRKXWHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-8-9-17-14-11-15(20)19(18-12-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,17H,4,7-10,16H2.
What are the key properties of 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one is sourced from PubChem (CID 103221075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).