2-[(6-methylpyridazin-3-yl)amino]pentanoic acid

C10H15N3O2 — CID 114989428

IUPAC2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
SMILESCCCC(Nc1ccc(C)nn1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-4-8(10(14)15)11-9-6-5-7(2)12-13-9/h5-6,8H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyFSVIUOQXRJGJGN-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds5

About 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid

2-[(6-methylpyridazin-3-yl)amino]pentanoic acid (PubChem CID 114989428) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
PubChem CID114989428
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
SMILESCCCC(Nc1ccc(C)nn1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-3-4-8(10(14)15)11-9-6-5-7(2)12-13-9/h5-6,8H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyFSVIUOQXRJGJGN-UHFFFAOYSA-N
XLogP1.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid (CID 114989428) is 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid is CCCC(Nc1ccc(C)nn1)C(=O)O.
What is the InChIKey of 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid?
The InChIKey is FSVIUOQXRJGJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-8(10(14)15)11-9-6-5-7(2)12-13-9/h5-6,8H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid?
2-[(6-methylpyridazin-3-yl)amino]pentanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyridazin-3-yl)amino]pentanoic acid is sourced from PubChem (CID 114989428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).