2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide

C12H11N3O4 — CID 3750355

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)Nc1ccccc1O
InChIInChI=1S/C12H11N3O4/c16-9-4-2-1-3-8(9)13-11(18)7-15-12(19)6-5-10(17)14-15/h1-6,16H,7H2,(H,13,18)(H,14,17)
InChIKeyLWBBSPWEFAHVMR-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.12
Rot. Bonds3

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide (PubChem CID 3750355) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide
PubChem CID3750355
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)Nc1ccccc1O
InChIInChI=1S/C12H11N3O4/c16-9-4-2-1-3-8(9)13-11(18)7-15-12(19)6-5-10(17)14-15/h1-6,16H,7H2,(H,13,18)(H,14,17)
InChIKeyLWBBSPWEFAHVMR-UHFFFAOYSA-N
XLogP-0.12
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 16791038
N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 16790022
N-(4-amino-2-methoxyphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 16790154
N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 43376201
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
CID 40688091
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-(2-hydroxyphenyl)acetamide
CID 4500800
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-hydroxyphenyl)acetamide
CID 4197157
3-(2-hydroxyanilino)-3-oxopropanoic acid
CID 69016240
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-hydroxyphenyl)acetamide
CID 51531541

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide (CID 3750355) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)Nc1ccccc1O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide?
The InChIKey is LWBBSPWEFAHVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-9-4-2-1-3-8(9)13-11(18)7-15-12(19)6-5-10(17)14-15/h1-6,16H,7H2,(H,13,18)(H,14,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide has a molecular weight of 261.24 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 3750355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).