ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate

C8H11N3O3 — CID 114391976

IUPACethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cn[nH]c(=O)c1
InChIInChI=1S/C8H11N3O3/c1-2-14-8(13)5-9-6-3-7(12)11-10-4-6/h3-4H,2,5H2,1H3,(H2,9,11,12)
InChIKeyBHAXJMFEDMPLTP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.26
Rot. Bonds4

About ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate

ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate (PubChem CID 114391976) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
PubChem CID114391976
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cn[nH]c(=O)c1
InChIInChI=1S/C8H11N3O3/c1-2-14-8(13)5-9-6-3-7(12)11-10-4-6/h3-4H,2,5H2,1H3,(H2,9,11,12)
InChIKeyBHAXJMFEDMPLTP-UHFFFAOYSA-N
XLogP-0.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-amino-3-pyridinyl)amino]acetate
CID 104533108
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849
3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 114391962
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
4-(cyclopropylmethylamino)-1H-pyridazin-6-one
CID 114391872
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1H-pyridazin-6-one
CID 106249129
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
ethyl 2-(3,4-dihydroxyanilino)acetate
CID 22630378
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate (CID 114391976) is ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate is CCOC(=O)CNc1cn[nH]c(=O)c1.
What is the InChIKey of ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate?
The InChIKey is BHAXJMFEDMPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-8(13)5-9-6-3-7(12)11-10-4-6/h3-4H,2,5H2,1H3,(H2,9,11,12).
What are the key properties of ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate?
ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate has a molecular weight of 197.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate is sourced from PubChem (CID 114391976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).