3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile

C15H18N4 — CID 54941310

IUPAC3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nncc2ccccc12
InChIInChI=1S/C15H18N4/c1-12(2)11-19(9-5-8-16)15-14-7-4-3-6-13(14)10-17-18-15/h3-4,6-7,10,12H,5,9,11H2,1-2H3
InChIKeyPXSNNEVABJHFQM-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.01
Rot. Bonds5

About 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile

3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile (PubChem CID 54941310) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile
PubChem CID54941310
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nncc2ccccc12
InChIInChI=1S/C15H18N4/c1-12(2)11-19(9-5-8-16)15-14-7-4-3-6-13(14)10-17-18-15/h3-4,6-7,10,12H,5,9,11H2,1-2H3
InChIKeyPXSNNEVABJHFQM-UHFFFAOYSA-N
XLogP3.01
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile 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-[(4-chlorophthalazin-1-yl)-(2-methylpropyl)amino]propanenitrile
CID 62142333
3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile
CID 55211264
N-(2-bromoethyl)-N-pentan-3-ylphthalazin-1-amine
CID 80679841
N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine
CID 62586186
N',2-dimethyl-N'-phthalazin-1-ylpropane-1,3-diamine
CID 54991707
3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 66340300
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
3-N-methyl-3-N-phthalazin-1-ylbutane-1,3-diamine
CID 63225812
3-[cinnolin-4-yl(propan-2-yl)amino]propanenitrile
CID 55212208
3-[N-(2-methylpropyl)-2-nitroanilino]propanenitrile
CID 60661505
3-[2-[(1S)-1-aminopropyl]-N-(2-methylpropyl)anilino]propanenitrile
CID 103958768
N-benzyl-N-(2-chloroethyl)phthalazin-1-amine
CID 63388439

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile (CID 54941310) is 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile is CC(C)CN(CCC#N)c1nncc2ccccc12.
What is the InChIKey of 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile?
The InChIKey is PXSNNEVABJHFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12(2)11-19(9-5-8-16)15-14-7-4-3-6-13(14)10-17-18-15/h3-4,6-7,10,12H,5,9,11H2,1-2H3.
What are the key properties of 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile?
3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile has a molecular weight of 254.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile is sourced from PubChem (CID 54941310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).