4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid

C15H16N4O3 — CID 166643388

IUPAC4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C15H16N4O3/c20-14-4-2-1-3-12(14)13-9-11(10-16-17-13)18-5-7-19(8-6-18)15(21)22/h1-4,9-10,20H,5-8H2,(H,21,22)
InChIKeyNKTJOKSJXXEWNH-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.65
Rot. Bonds2

About 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid

4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid (PubChem CID 166643388) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid
PubChem CID166643388
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C15H16N4O3/c20-14-4-2-1-3-12(14)13-9-11(10-16-17-13)18-5-7-19(8-6-18)15(21)22/h1-4,9-10,20H,5-8H2,(H,21,22)
InChIKeyNKTJOKSJXXEWNH-UHFFFAOYSA-N
XLogP1.65
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid (CID 166643388) is 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2cnnc(-c3ccccc3O)c2)CC1.
What is the InChIKey of 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid?
The InChIKey is NKTJOKSJXXEWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14-4-2-1-3-12(14)13-9-11(10-16-17-13)18-5-7-19(8-6-18)15(21)22/h1-4,9-10,20H,5-8H2,(H,21,22).
What are the key properties of 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid?
4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 166643388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).