3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile

C14H14N4O2 — CID 80509293

IUPAC3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCOc1ccc(CNc2nnccc2C#N)cc1OC
InChIInChI=1S/C14H14N4O2/c1-19-12-4-3-10(7-13(12)20-2)9-16-14-11(8-15)5-6-17-18-14/h3-7H,9H2,1-2H3,(H,16,18)
InChIKeySPYRZBCQEUSZTC-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.98
Rot. Bonds5

About 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile

3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80509293) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
PubChem CID80509293
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCOc1ccc(CNc2nnccc2C#N)cc1OC
InChIInChI=1S/C14H14N4O2/c1-19-12-4-3-10(7-13(12)20-2)9-16-14-11(8-15)5-6-17-18-14/h3-7H,9H2,1-2H3,(H,16,18)
InChIKeySPYRZBCQEUSZTC-UHFFFAOYSA-N
XLogP1.98
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-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

3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile
CID 105357834
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966
2-bromo-4-[(3,4-dimethoxyphenyl)methylamino]benzonitrile
CID 107275958
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
2-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carbonitrile
CID 133431142
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735
5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
2-[(3,4-dimethoxyphenyl)methylamino]-2-methylpropanenitrile
CID 28702633
2-[[3-[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112956457

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile (CID 80509293) is 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile is COc1ccc(CNc2nnccc2C#N)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is SPYRZBCQEUSZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-12-4-3-10(7-13(12)20-2)9-16-14-11(8-15)5-6-17-18-14/h3-7H,9H2,1-2H3,(H,16,18).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile?
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).