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

C25H26N6O — CID 69331904

IUPAC6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2nc(NCCc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H26N6O/c1-17(2)31-21(32)14-13-20(30-31)23-22(19-11-7-4-8-12-19)28-24(26)25(29-23)27-16-15-18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyLTPIRVDBYHQJMM-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.18
Rot. Bonds7

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

6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one (PubChem CID 69331904) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
PubChem CID69331904
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2nc(NCCc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H26N6O/c1-17(2)31-21(32)14-13-20(30-31)23-22(19-11-7-4-8-12-19)28-24(26)25(29-23)27-16-15-18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyLTPIRVDBYHQJMM-UHFFFAOYSA-N
XLogP4.18
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one (CID 69331904) is 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(-c2nc(NCCc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is LTPIRVDBYHQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17(2)31-21(32)14-13-20(30-31)23-22(19-11-7-4-8-12-19)28-24(26)25(29-23)27-16-15-18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H2,26,28)(H,27,29).
What are the key properties of 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one?
6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 426.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-phenyl-6-(2-phenylethylamino)pyrazin-2-yl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 69331904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).