4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one

C16H19N3O — CID 10378392

IUPAC4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one
SMILESC=Cc1c(-c2ccccc2)nn(CCCC)c(=O)c1N
InChIInChI=1S/C16H19N3O/c1-3-5-11-19-16(20)14(17)13(4-2)15(18-19)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11,17H2,1H3
InChIKeyPTSMMFFDBIGIGG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.94
Rot. Bonds5

About 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one

4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one (PubChem CID 10378392) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one
PubChem CID10378392
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one
SMILESC=Cc1c(-c2ccccc2)nn(CCCC)c(=O)c1N
InChIInChI=1S/C16H19N3O/c1-3-5-11-19-16(20)14(17)13(4-2)15(18-19)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11,17H2,1H3
InChIKeyPTSMMFFDBIGIGG-UHFFFAOYSA-N
XLogP2.94
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one?
The IUPAC name of 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one (CID 10378392) is 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one?
The canonical SMILES for 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one is C=Cc1c(-c2ccccc2)nn(CCCC)c(=O)c1N.
What is the InChIKey of 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one?
The InChIKey is PTSMMFFDBIGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-5-11-19-16(20)14(17)13(4-2)15(18-19)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11,17H2,1H3.
What are the key properties of 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one?
4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one has a molecular weight of 269.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butyl-5-ethenyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10378392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).