2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile

C15H17N5O — CID 103223592

IUPAC2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
SMILESCNCCNc1cnn(Cc2ccccc2C#N)c(=O)c1
InChIInChI=1S/C15H17N5O/c1-17-6-7-18-14-8-15(21)20(19-10-14)11-13-5-3-2-4-12(13)9-16/h2-5,8,10,17-18H,6-7,11H2,1H3
InChIKeyWIQKAOCGGRDFHS-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.79
Rot. Bonds6

About 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile

2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile (PubChem CID 103223592) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
PubChem CID103223592
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
SMILESCNCCNc1cnn(Cc2ccccc2C#N)c(=O)c1
InChIInChI=1S/C15H17N5O/c1-17-6-7-18-14-8-15(21)20(19-10-14)11-13-5-3-2-4-12(13)9-16/h2-5,8,10,17-18H,6-7,11H2,1H3
InChIKeyWIQKAOCGGRDFHS-UHFFFAOYSA-N
XLogP0.79
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile 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

2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzonitrile
CID 106548669
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
2-[(3-chloro-4-pyridinyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223550
2-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223623
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
4-[[6-oxo-4-(propylamino)pyridazin-1-yl]methyl]pyridine-2-carbonitrile
CID 103220340
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile (CID 103223592) is 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile is CNCCNc1cnn(Cc2ccccc2C#N)c(=O)c1.
What is the InChIKey of 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile?
The InChIKey is WIQKAOCGGRDFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-17-6-7-18-14-8-15(21)20(19-10-14)11-13-5-3-2-4-12(13)9-16/h2-5,8,10,17-18H,6-7,11H2,1H3.
What are the key properties of 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile?
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile has a molecular weight of 283.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 103223592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).