ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)

C13H14N3O3Y+2 — CID 20794343

IUPACethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
SMILES[CH2-]c1cc2c(=O)c(C(=O)OCC)cn(CC)c2nn1.[Y+3]
InChIInChI=1S/C13H14N3O3.Y/c1-4-16-7-10(13(18)19-5-2)11(17)9-6-8(3)14-15-12(9)16;/h6-7H,3-5H2,1-2H3;/q-1;+3
InChIKeyDLBAZUNVDHDGHX-UHFFFAOYSA-N
MW349.18 g/mol
LogP1.17
Rot. Bonds3

About ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)

ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+) (PubChem CID 20794343) has the molecular formula C13H14N3O3Y+2 and a molecular weight of 349.18 g/mol. Its IUPAC name is ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+).

Molecular Properties

Compound Nameethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
PubChem CID20794343
Molecular FormulaC13H14N3O3Y+2
Molecular Weight349.18 g/mol
Exact Mass349.01
IUPAC Nameethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
SMILES[CH2-]c1cc2c(=O)c(C(=O)OCC)cn(CC)c2nn1.[Y+3]
InChIInChI=1S/C13H14N3O3.Y/c1-4-16-7-10(13(18)19-5-2)11(17)9-6-8(3)14-15-12(9)16;/h6-7H,3-5H2,1-2H3;/q-1;+3
InChIKeyDLBAZUNVDHDGHX-UHFFFAOYSA-N
XLogP1.17
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+) with MolForge

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Related Compounds

(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11223923
ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
CID 146001120
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 14287951
ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 154356871
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)?
The IUPAC name of ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+) (CID 20794343) is ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+).
What is the SMILES notation for ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)?
The canonical SMILES for ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+) is [CH2-]c1cc2c(=O)c(C(=O)OCC)cn(CC)c2nn1.[Y+3].
What is the InChIKey of ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)?
The InChIKey is DLBAZUNVDHDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N3O3.Y/c1-4-16-7-10(13(18)19-5-2)11(17)9-6-8(3)14-15-12(9)16;/h6-7H,3-5H2,1-2H3;/q-1;+3.
What are the key properties of ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)?
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+) has a molecular weight of 349.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+) is sourced from PubChem (CID 20794343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).