ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate

C14H14ClN3O3 — CID 15152626

IUPACethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H14ClN3O3/c1-2-21-12(19)9-16-11-8-17-18(14(20)13(11)15)10-6-4-3-5-7-10/h3-8,16H,2,9H2,1H3
InChIKeyMSQGWDURMBIXQH-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate

ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate (PubChem CID 15152626) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
PubChem CID15152626
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Nameethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H14ClN3O3/c1-2-21-12(19)9-16-11-8-17-18(14(20)13(11)15)10-6-4-3-5-7-10/h3-8,16H,2,9H2,1H3
InChIKeyMSQGWDURMBIXQH-UHFFFAOYSA-N
XLogP1.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-3-(2-methylphenyl)sulfonylurea
CID 13489961
4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430645
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872
methyl 3-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)sulfanylpropanoate
CID 9311577
4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate (CID 15152626) is ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate is CCOC(=O)CNc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate?
The InChIKey is MSQGWDURMBIXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-21-12(19)9-16-11-8-17-18(14(20)13(11)15)10-6-4-3-5-7-10/h3-8,16H,2,9H2,1H3.
What are the key properties of ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate?
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate has a molecular weight of 307.74 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate is sourced from PubChem (CID 15152626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).