4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one

C17H24N4O2 — CID 3040456

IUPAC4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one
SMILESCCOc1cc(NCCCN(C)C)c(=O)n(-c2ccccc2)n1
InChIInChI=1S/C17H24N4O2/c1-4-23-16-13-15(18-11-8-12-20(2)3)17(22)21(19-16)14-9-6-5-7-10-14/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3
InChIKeyNPLXVIHYCRBJMB-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.99
Rot. Bonds8

About 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one

4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one (PubChem CID 3040456) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one
PubChem CID3040456
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one
SMILESCCOc1cc(NCCCN(C)C)c(=O)n(-c2ccccc2)n1
InChIInChI=1S/C17H24N4O2/c1-4-23-16-13-15(18-11-8-12-20(2)3)17(22)21(19-16)14-9-6-5-7-10-14/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3
InChIKeyNPLXVIHYCRBJMB-UHFFFAOYSA-N
XLogP1.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one (CID 3040456) is 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one is CCOc1cc(NCCCN(C)C)c(=O)n(-c2ccccc2)n1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one?
The InChIKey is NPLXVIHYCRBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-23-16-13-15(18-11-8-12-20(2)3)17(22)21(19-16)14-9-6-5-7-10-14/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one?
4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one has a molecular weight of 316.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 3040456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).