3-(6-methylpyridazin-3-yl)propanoic acid

C8H10N2O2 — CID 23008642

IUPAC3-(6-methylpyridazin-3-yl)propanoic acid
SMILESCc1ccc(CCC(=O)O)nn1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-7(10-9-6)4-5-8(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyUVZOPDJGWMUWMF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.80
Rot. Bonds3

About 3-(6-methylpyridazin-3-yl)propanoic acid

3-(6-methylpyridazin-3-yl)propanoic acid (PubChem CID 23008642) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)propanoic acid
PubChem CID23008642
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(6-methylpyridazin-3-yl)propanoic acid
SMILESCc1ccc(CCC(=O)O)nn1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-7(10-9-6)4-5-8(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyUVZOPDJGWMUWMF-UHFFFAOYSA-N
XLogP0.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(dimethylamino)pyridazin-3-yl]propanoic acid
CID 165348789
3-(5-methyl-2-pyridinyl)propanoic acid
CID 79002141
3-methyl-6-[(6-methylpyridazin-3-yl)methyl]pyridazine
CID 59592002
3-(5-methylpyrazin-2-yl)propanoic acid
CID 82414330
3-(6-methyl-1,2,4-triazin-3-yl)propanoic acid
CID 82413919
1-bromo-3-(6-methylpyridazin-3-yl)propan-2-one
CID 58348382
2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid
CID 82400443
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-[5-chloro-6-[(6-methylpyridazin-3-yl)methoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 121415162
1-(6-methylpyridazin-3-yl)propan-2-ol
CID 55161825
6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
CID 114987459
N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
CID 130901261

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)propanoic acid?
The IUPAC name of 3-(6-methylpyridazin-3-yl)propanoic acid (CID 23008642) is 3-(6-methylpyridazin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)propanoic acid is Cc1ccc(CCC(=O)O)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)propanoic acid?
The InChIKey is UVZOPDJGWMUWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-3-7(10-9-6)4-5-8(11)12/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 3-(6-methylpyridazin-3-yl)propanoic acid?
3-(6-methylpyridazin-3-yl)propanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)propanoic acid is sourced from PubChem (CID 23008642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).