2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid

C10H14ClN3O3 — CID 162728072

IUPAC2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid
SMILESCN(C)CCc1c(Cl)cnn(CC(=O)O)c1=O
InChIInChI=1S/C10H14ClN3O3/c1-13(2)4-3-7-8(11)5-12-14(10(7)17)6-9(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyGZJZQESLQHHEFL-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.09
Rot. Bonds5

About 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid

2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid (PubChem CID 162728072) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid
PubChem CID162728072
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid
SMILESCN(C)CCc1c(Cl)cnn(CC(=O)O)c1=O
InChIInChI=1S/C10H14ClN3O3/c1-13(2)4-3-7-8(11)5-12-14(10(7)17)6-9(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyGZJZQESLQHHEFL-UHFFFAOYSA-N
XLogP0.09
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid (CID 162728072) is 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid is CN(C)CCc1c(Cl)cnn(CC(=O)O)c1=O.
What is the InChIKey of 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid?
The InChIKey is GZJZQESLQHHEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-13(2)4-3-7-8(11)5-12-14(10(7)17)6-9(15)16/h5H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid?
2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid has a molecular weight of 259.69 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]acetic acid is sourced from PubChem (CID 162728072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).