2-(4-ethyl-1-oxophthalazin-2-yl)acetate

C12H11N2O3- — CID 6946724

IUPAC2-(4-ethyl-1-oxophthalazin-2-yl)acetate
SMILESCCc1nn(CC(=O)[O-])c(=O)c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-2-10-8-5-3-4-6-9(8)12(17)14(13-10)7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16)/p-1
InChIKeyXMXGZKRVENSZAK-UHFFFAOYSA-M
MW231.23 g/mol
LogP-0.29
Rot. Bonds3

About 2-(4-ethyl-1-oxophthalazin-2-yl)acetate

2-(4-ethyl-1-oxophthalazin-2-yl)acetate (PubChem CID 6946724) has the molecular formula C12H11N2O3- and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(4-ethyl-1-oxophthalazin-2-yl)acetate.

Molecular Properties

Compound Name2-(4-ethyl-1-oxophthalazin-2-yl)acetate
PubChem CID6946724
Molecular FormulaC12H11N2O3-
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-(4-ethyl-1-oxophthalazin-2-yl)acetate
SMILESCCc1nn(CC(=O)[O-])c(=O)c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-2-10-8-5-3-4-6-9(8)12(17)14(13-10)7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16)/p-1
InChIKeyXMXGZKRVENSZAK-UHFFFAOYSA-M
XLogP-0.29
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
2-(3-benzyl-4-oxophthalazin-1-yl)acetate
CID 6944489
4-ethyl-2-methylphthalazin-1-one
CID 58923354
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
2-[2-(carboxylatomethyl)-4,9-dimethyl-1,6-dioxopyridazino[4,5-g]phthalazin-7-yl]acetate
CID 6969277
ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
CID 2779137
2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetate
CID 7100245
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
CID 39890759
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-oxophthalazin-2-yl)acetate?
The IUPAC name of 2-(4-ethyl-1-oxophthalazin-2-yl)acetate (CID 6946724) is 2-(4-ethyl-1-oxophthalazin-2-yl)acetate.
What is the SMILES notation for 2-(4-ethyl-1-oxophthalazin-2-yl)acetate?
The canonical SMILES for 2-(4-ethyl-1-oxophthalazin-2-yl)acetate is CCc1nn(CC(=O)[O-])c(=O)c2ccccc12.
What is the InChIKey of 2-(4-ethyl-1-oxophthalazin-2-yl)acetate?
The InChIKey is XMXGZKRVENSZAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O3/c1-2-10-8-5-3-4-6-9(8)12(17)14(13-10)7-11(15)16/h3-6H,2,7H2,1H3,(H,15,16)/p-1.
What are the key properties of 2-(4-ethyl-1-oxophthalazin-2-yl)acetate?
2-(4-ethyl-1-oxophthalazin-2-yl)acetate has a molecular weight of 231.23 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-oxophthalazin-2-yl)acetate is sourced from PubChem (CID 6946724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).