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

C13H13N3O — CID 10176927

IUPAC4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one
SMILESC=Cc1c(-c2ccccc2)nn(C)c(=O)c1N
InChIInChI=1S/C13H13N3O/c1-3-10-11(14)13(17)16(2)15-12(10)9-7-5-4-6-8-9/h3-8H,1,14H2,2H3
InChIKeyUZGOGRFQISYFLP-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.67
Rot. Bonds2

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

4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one (PubChem CID 10176927) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one
PubChem CID10176927
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one
SMILESC=Cc1c(-c2ccccc2)nn(C)c(=O)c1N
InChIInChI=1S/C13H13N3O/c1-3-10-11(14)13(17)16(2)15-12(10)9-7-5-4-6-8-9/h3-8H,1,14H2,2H3
InChIKeyUZGOGRFQISYFLP-UHFFFAOYSA-N
XLogP1.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one (CID 10176927) is 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one is C=Cc1c(-c2ccccc2)nn(C)c(=O)c1N.
What is the InChIKey of 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is UZGOGRFQISYFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-10-11(14)13(17)16(2)15-12(10)9-7-5-4-6-8-9/h3-8H,1,14H2,2H3.
What are the key properties of 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one?
4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 227.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethenyl-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10176927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).