3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile

C18H16N6O — CID 69331459

IUPAC3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile
SMILESCC(C)n1nc(-c2nc(N)c(C#N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C18H16N6O/c1-11(2)24-15(25)9-8-13(23-24)17-16(12-6-4-3-5-7-12)21-14(10-19)18(20)22-17/h3-9,11H,1-2H3,(H2,20,22)
InChIKeyFVFKHFSDLCLCDS-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile

3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile (PubChem CID 69331459) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile
PubChem CID69331459
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile
SMILESCC(C)n1nc(-c2nc(N)c(C#N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C18H16N6O/c1-11(2)24-15(25)9-8-13(23-24)17-16(12-6-4-3-5-7-12)21-14(10-19)18(20)22-17/h3-9,11H,1-2H3,(H2,20,22)
InChIKeyFVFKHFSDLCLCDS-UHFFFAOYSA-N
XLogP2.40
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile (CID 69331459) is 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile is CC(C)n1nc(-c2nc(N)c(C#N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile?
The InChIKey is FVFKHFSDLCLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11(2)24-15(25)9-8-13(23-24)17-16(12-6-4-3-5-7-12)21-14(10-19)18(20)22-17/h3-9,11H,1-2H3,(H2,20,22).
What are the key properties of 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile?
3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile has a molecular weight of 332.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile is sourced from PubChem (CID 69331459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).