3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile

C14H14N4O — CID 80514507

IUPAC3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(OCc2ccc(N)cc2)c(C#N)c1C
InChIInChI=1S/C14H14N4O/c1-9-10(2)17-18-14(13(9)7-15)19-8-11-3-5-12(16)6-4-11/h3-6H,8,16H2,1-2H3
InChIKeyHLJGUDHZWAAKFG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.13
Rot. Bonds3

About 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile

3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 80514507) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID80514507
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(OCc2ccc(N)cc2)c(C#N)c1C
InChIInChI=1S/C14H14N4O/c1-9-10(2)17-18-14(13(9)7-15)19-8-11-3-5-12(16)6-4-11/h3-6H,8,16H2,1-2H3
InChIKeyHLJGUDHZWAAKFG-UHFFFAOYSA-N
XLogP2.13
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile (CID 80514507) is 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(OCc2ccc(N)cc2)c(C#N)c1C.
What is the InChIKey of 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is HLJGUDHZWAAKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-10(2)17-18-14(13(9)7-15)19-8-11-3-5-12(16)6-4-11/h3-6H,8,16H2,1-2H3.
What are the key properties of 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80514507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).