2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid

C13H20N4O2 — CID 116973717

IUPAC2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid
SMILESCN1CCC(c2ccc(N(C)CC(=O)O)nn2)CC1
InChIInChI=1S/C13H20N4O2/c1-16-7-5-10(6-8-16)11-3-4-12(15-14-11)17(2)9-13(18)19/h3-4,10H,5-9H2,1-2H3,(H,18,19)
InChIKeyXGMBUSJUMZVLIX-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.81
Rot. Bonds4

About 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid

2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid (PubChem CID 116973717) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid
PubChem CID116973717
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid
SMILESCN1CCC(c2ccc(N(C)CC(=O)O)nn2)CC1
InChIInChI=1S/C13H20N4O2/c1-16-7-5-10(6-8-16)11-3-4-12(15-14-11)17(2)9-13(18)19/h3-4,10H,5-9H2,1-2H3,(H,18,19)
InChIKeyXGMBUSJUMZVLIX-UHFFFAOYSA-N
XLogP0.81
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid (CID 116973717) is 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid is CN1CCC(c2ccc(N(C)CC(=O)O)nn2)CC1.
What is the InChIKey of 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid?
The InChIKey is XGMBUSJUMZVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16-7-5-10(6-8-16)11-3-4-12(15-14-11)17(2)9-13(18)19/h3-4,10H,5-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid?
2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]acetic acid is sourced from PubChem (CID 116973717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).