2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid

C15H15Cl2N3O3 — CID 122051508

IUPAC2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C15H15Cl2N3O3/c1-2-7-19(9-13(21)22)12-8-18-20(15(23)14(12)17)11-5-3-10(16)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,21,22)
InChIKeyAFBXEXNSSTZOLP-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.84
Rot. Bonds6

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

2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid (PubChem CID 122051508) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid
PubChem CID122051508
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl
InChIInChI=1S/C15H15Cl2N3O3/c1-2-7-19(9-13(21)22)12-8-18-20(15(23)14(12)17)11-5-3-10(16)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,21,22)
InChIKeyAFBXEXNSSTZOLP-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
CID 133381459
N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
CID 60521372
4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
CID 24997707
3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
CID 2774918
4-chloro-5-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-phenylpyridazin-3-one
CID 9172446
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
CID 115069490
3-butyl-2-(4-chlorophenyl)-5-oxopyridazine-4-carboxylic acid
CID 14097999
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
CID 50876167
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid?
The IUPAC name of 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid (CID 122051508) is 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid?
The canonical SMILES for 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid is CCCN(CC(=O)O)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl.
What is the InChIKey of 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid?
The InChIKey is AFBXEXNSSTZOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c1-2-7-19(9-13(21)22)12-8-18-20(15(23)14(12)17)11-5-3-10(16)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,21,22).
What are the key properties of 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid?
2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid has a molecular weight of 356.21 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid is sourced from PubChem (CID 122051508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).