2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid

C12H12N4O2 — CID 116973709

IUPAC2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccc(-c2ccccn2)nn1
InChIInChI=1S/C12H12N4O2/c1-16(8-12(17)18)11-6-5-10(14-15-11)9-4-2-3-7-13-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyMTWACHAHMKTORP-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.06
Rot. Bonds4

About 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid

2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid (PubChem CID 116973709) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid
PubChem CID116973709
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccc(-c2ccccn2)nn1
InChIInChI=1S/C12H12N4O2/c1-16(8-12(17)18)11-6-5-10(14-15-11)9-4-2-3-7-13-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyMTWACHAHMKTORP-UHFFFAOYSA-N
XLogP1.06
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid (CID 116973709) is 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid is CN(CC(=O)O)c1ccc(-c2ccccn2)nn1.
What is the InChIKey of 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid?
The InChIKey is MTWACHAHMKTORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16(8-12(17)18)11-6-5-10(14-15-11)9-4-2-3-7-13-9/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid?
2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-pyridin-2-ylpyridazin-3-yl)amino]acetic acid is sourced from PubChem (CID 116973709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).