6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one

C25H23N5O — CID 69331884

IUPAC6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2nc(C=Cc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H23N5O/c1-17(2)30-22(31)16-15-20(29-30)24-23(19-11-7-4-8-12-19)28-25(26)21(27-24)14-13-18-9-5-3-6-10-18/h3-17H,1-2H3,(H2,26,28)
InChIKeyAULWVCYBRKXHKZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.70
Rot. Bonds5

About 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one

6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one (PubChem CID 69331884) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
PubChem CID69331884
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2nc(C=Cc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H23N5O/c1-17(2)30-22(31)16-15-20(29-30)24-23(19-11-7-4-8-12-19)28-25(26)21(27-24)14-13-18-9-5-3-6-10-18/h3-17H,1-2H3,(H2,26,28)
InChIKeyAULWVCYBRKXHKZ-UHFFFAOYSA-N
XLogP4.70
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one (CID 69331884) is 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(-c2nc(C=Cc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is AULWVCYBRKXHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-17(2)30-22(31)16-15-20(29-30)24-23(19-11-7-4-8-12-19)28-25(26)21(27-24)14-13-18-9-5-3-6-10-18/h3-17H,1-2H3,(H2,26,28).
What are the key properties of 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 409.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-phenyl-6-(2-phenylethenyl)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 69331884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).