6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one

C19H17N5O5 — CID 70067197

IUPAC6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one
SMILESO=C1C(n2nc(-c3cccc([N+](=O)[O-])c3)c3ncccc3c2=O)CCN1CCO
InChIInChI=1S/C19H17N5O5/c25-10-9-22-8-6-15(19(22)27)23-18(26)14-5-2-7-20-17(14)16(21-23)12-3-1-4-13(11-12)24(28)29/h1-5,7,11,15,25H,6,8-10H2
InChIKeyHLLSWNASGNVZJD-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.13
Rot. Bonds5

About 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one

6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one (PubChem CID 70067197) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one
PubChem CID70067197
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one
SMILESO=C1C(n2nc(-c3cccc([N+](=O)[O-])c3)c3ncccc3c2=O)CCN1CCO
InChIInChI=1S/C19H17N5O5/c25-10-9-22-8-6-15(19(22)27)23-18(26)14-5-2-7-20-17(14)16(21-23)12-3-1-4-13(11-12)24(28)29/h1-5,7,11,15,25H,6,8-10H2
InChIKeyHLLSWNASGNVZJD-UHFFFAOYSA-N
XLogP1.13
TPSA131.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-nitrophenyl)-6-(1-piperidin-2-ylpropan-2-yl)pyrido[2,3-d]pyridazin-5-one
CID 67835433
2-[3-(3-nitrophenyl)-1,2,4-triazol-1-yl]ethanol
CID 115622124
1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine
CID 83208290
2-(3-nitrophenyl)pyridine-3-carbaldehyde
CID 2764566
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
8-(4-methyl-3-nitrophenyl)-6-propan-2-ylpyrido[2,3-d]pyridazin-5-one
CID 19700844
1-ethyl-3-(3-nitrophenyl)pyrazole-4-carboxylic acid
CID 20848754
6-(3-nitrophenyl)-2-(quinolin-8-ylmethyl)pyridazin-3-one
CID 48925101
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
5-[3-(3-nitrophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 68912146
N-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]acetamide
CID 1422902

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one (CID 70067197) is 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one is O=C1C(n2nc(-c3cccc([N+](=O)[O-])c3)c3ncccc3c2=O)CCN1CCO.
What is the InChIKey of 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one?
The InChIKey is HLLSWNASGNVZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c25-10-9-22-8-6-15(19(22)27)23-18(26)14-5-2-7-20-17(14)16(21-23)12-3-1-4-13(11-12)24(28)29/h1-5,7,11,15,25H,6,8-10H2.
What are the key properties of 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one?
6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one has a molecular weight of 395.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 70067197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).