6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile

C15H16N4O3 — CID 133418637

IUPAC6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
SMILESCOCCOc1cc(Nc2ccc(C#N)nn2)ccc1OC
InChIInChI=1S/C15H16N4O3/c1-20-7-8-22-14-9-11(3-5-13(14)21-2)17-15-6-4-12(10-16)18-19-15/h3-6,9H,7-8H2,1-2H3,(H,17,19)
InChIKeyCZLOJAANHXWYLI-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.13
Rot. Bonds7

About 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile

6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile (PubChem CID 133418637) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
PubChem CID133418637
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
SMILESCOCCOc1cc(Nc2ccc(C#N)nn2)ccc1OC
InChIInChI=1S/C15H16N4O3/c1-20-7-8-22-14-9-11(3-5-13(14)21-2)17-15-6-4-12(10-16)18-19-15/h3-6,9H,7-8H2,1-2H3,(H,17,19)
InChIKeyCZLOJAANHXWYLI-UHFFFAOYSA-N
XLogP2.13
TPSA89.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile 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

6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
CID 133418635
6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile
CID 133416340
6-(4-ethylanilino)pyridazine-3-carbonitrile
CID 163350318
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051223
6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
CID 163350395
6-(4-methoxy-3-methylanilino)pyrimidine-4-carbonitrile
CID 115142693
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133351459
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
CID 23527673

Frequently Asked Questions

What is the IUPAC name of 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile (CID 133418637) is 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile is COCCOc1cc(Nc2ccc(C#N)nn2)ccc1OC.
What is the InChIKey of 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile?
The InChIKey is CZLOJAANHXWYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-20-7-8-22-14-9-11(3-5-13(14)21-2)17-15-6-4-12(10-16)18-19-15/h3-6,9H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile?
6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).