4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid

C12H14N4O2 — CID 82384540

IUPAC4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ccc3cccnn23)CCN1
InChIInChI=1S/C12H14N4O2/c17-12(18)10-8-15(7-6-13-10)11-4-3-9-2-1-5-14-16(9)11/h1-5,10,13H,6-8H2,(H,17,18)
InChIKeyOWFZQRPBLMUDFL-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.20
Rot. Bonds2

About 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid

4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid (PubChem CID 82384540) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid
PubChem CID82384540
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ccc3cccnn23)CCN1
InChIInChI=1S/C12H14N4O2/c17-12(18)10-8-15(7-6-13-10)11-4-3-9-2-1-5-14-16(9)11/h1-5,10,13H,6-8H2,(H,17,18)
InChIKeyOWFZQRPBLMUDFL-UHFFFAOYSA-N
XLogP0.20
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid?
The IUPAC name of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid (CID 82384540) is 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid is O=C(O)C1CN(c2ccc3cccnn23)CCN1.
What is the InChIKey of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid?
The InChIKey is OWFZQRPBLMUDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(18)10-8-15(7-6-13-10)11-4-3-9-2-1-5-14-16(9)11/h1-5,10,13H,6-8H2,(H,17,18).
What are the key properties of 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid?
4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 82384540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).