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

C18H17N5O3 — CID 69333231

IUPAC3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid
SMILESCC(C)n1nc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C18H17N5O3/c1-10(2)23-13(24)9-8-12(22-23)15-14(11-6-4-3-5-7-11)21-17(19)16(20-15)18(25)26/h3-10H,1-2H3,(H2,19,21)(H,25,26)
InChIKeyVMHPPFYBSLFYJK-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.23
Rot. Bonds4

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

3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid (PubChem CID 69333231) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid
PubChem CID69333231
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid
SMILESCC(C)n1nc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C18H17N5O3/c1-10(2)23-13(24)9-8-12(22-23)15-14(11-6-4-3-5-7-11)21-17(19)16(20-15)18(25)26/h3-10H,1-2H3,(H2,19,21)(H,25,26)
InChIKeyVMHPPFYBSLFYJK-UHFFFAOYSA-N
XLogP2.23
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid (CID 69333231) is 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid is CC(C)n1nc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
The InChIKey is VMHPPFYBSLFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10(2)23-13(24)9-8-12(22-23)15-14(11-6-4-3-5-7-11)21-17(19)16(20-15)18(25)26/h3-10H,1-2H3,(H2,19,21)(H,25,26).
What are the key properties of 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-phenylpyrazine-2-carboxylic acid is sourced from PubChem (CID 69333231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).