6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid

C15H17N3O3 — CID 154742768

IUPAC6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid
SMILESCN(c1ccc(C(=O)O)nn1)C(CCO)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18(14-8-7-12(15(20)21)16-17-14)13(9-10-19)11-5-3-2-4-6-11/h2-8,13,19H,9-10H2,1H3,(H,20,21)
InChIKeyGVVPFLDSIPFLLE-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.73
Rot. Bonds6

About 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid

6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid (PubChem CID 154742768) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid
PubChem CID154742768
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid
SMILESCN(c1ccc(C(=O)O)nn1)C(CCO)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18(14-8-7-12(15(20)21)16-17-14)13(9-10-19)11-5-3-2-4-6-11/h2-8,13,19H,9-10H2,1H3,(H,20,21)
InChIKeyGVVPFLDSIPFLLE-UHFFFAOYSA-N
XLogP1.73
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid (CID 154742768) is 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid is CN(c1ccc(C(=O)O)nn1)C(CCO)c1ccccc1.
What is the InChIKey of 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid?
The InChIKey is GVVPFLDSIPFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(14-8-7-12(15(20)21)16-17-14)13(9-10-19)11-5-3-2-4-6-11/h2-8,13,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid?
6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 154742768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).