6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile

C15H16N4O — CID 133418268

IUPAC6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile
SMILESCC(C)Oc1ccc(CNc2ccc(C#N)nn2)cc1
InChIInChI=1S/C15H16N4O/c1-11(2)20-14-6-3-12(4-7-14)10-17-15-8-5-13(9-16)18-19-15/h3-8,11H,10H2,1-2H3,(H,17,19)
InChIKeyUUEQBWDOMYFHCX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.75
Rot. Bonds5

About 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile

6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile (PubChem CID 133418268) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile
PubChem CID133418268
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile
SMILESCC(C)Oc1ccc(CNc2ccc(C#N)nn2)cc1
InChIInChI=1S/C15H16N4O/c1-11(2)20-14-6-3-12(4-7-14)10-17-15-8-5-13(9-16)18-19-15/h3-8,11H,10H2,1-2H3,(H,17,19)
InChIKeyUUEQBWDOMYFHCX-UHFFFAOYSA-N
XLogP2.75
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(4-propan-2-yloxyphenyl)methylamino]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-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile
CID 133432484
6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile
CID 133422561
4-chloro-2-[(4-propan-2-yloxyphenyl)methylamino]benzonitrile
CID 43780519
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
CID 115147130
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile
CID 133420728
6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133420123
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
6-(2-phenoxyethylamino)pyridazine-3-carbonitrile
CID 163348040
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
3-cyano-4-[(4-propan-2-yloxyphenyl)methylamino]benzenesulfonamide
CID 133310187

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile (CID 133418268) is 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile is CC(C)Oc1ccc(CNc2ccc(C#N)nn2)cc1.
What is the InChIKey of 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile?
The InChIKey is UUEQBWDOMYFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(2)20-14-6-3-12(4-7-14)10-17-15-8-5-13(9-16)18-19-15/h3-8,11H,10H2,1-2H3,(H,17,19).
What are the key properties of 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile?
6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).