5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid

C16H19N3O6 — CID 70575262

IUPAC5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid
SMILESCCC1(C(=O)O)C(C)NN=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O6/c1-4-16(15(21)22)9(2)17-18-13(14(20)25-3)12(16)10-7-5-6-8-11(10)19(23)24/h5-9,12,17H,4H2,1-3H3,(H,21,22)
InChIKeyAFFXGAOBLJMXEI-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.68
Rot. Bonds5

About 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid

5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid (PubChem CID 70575262) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid
PubChem CID70575262
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid
SMILESCCC1(C(=O)O)C(C)NN=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O6/c1-4-16(15(21)22)9(2)17-18-13(14(20)25-3)12(16)10-7-5-6-8-11(10)19(23)24/h5-9,12,17H,4H2,1-3H3,(H,21,22)
InChIKeyAFFXGAOBLJMXEI-UHFFFAOYSA-N
XLogP1.68
TPSA131.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid 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

5-ethyl-3-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid
CID 70576165
4-(3-chlorophenyl)-5-ethyl-3-methoxycarbonyl-6-methyl-4,6-dihydro-1H-pyridazine-5-carboxylic acid
CID 70576672
3-ethoxycarbonyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid
CID 10958547
dimethyl 2-((18F)fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 177410356
methyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 14833444
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyran-3,5-dicarboxylate
CID 10914985
3-O-methyl 5-O-(2-nitrooxyethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10364866
methyl 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4280177
5-O-methyl 3-O-(113C)methyl 2-methyl-6-(113C)methyl-4-(2-nitrophenyl)-(2,3,4,5,6-13C5)3,4-dihydropyridine-3,5-dicarboxylate
CID 123354601
methyl 2-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate
CID 21442893
5-O-(2-hydroxypropyl) 3-O-methyl (4R)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 101054021
3-O-methyl 5-O-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 70427595

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid (CID 70575262) is 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid is CCC1(C(=O)O)C(C)NN=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid?
The InChIKey is AFFXGAOBLJMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-4-16(15(21)22)9(2)17-18-13(14(20)25-3)12(16)10-7-5-6-8-11(10)19(23)24/h5-9,12,17H,4H2,1-3H3,(H,21,22).
What are the key properties of 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid?
5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid has a molecular weight of 349.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-4,6-dihydro-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 70575262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).