4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile

C19H12N4S — CID 11493617

IUPAC4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C19H12N4S/c20-12-13-7-9-14(10-8-13)21-19-16-5-2-1-4-15(16)18(22-23-19)17-6-3-11-24-17/h1-11H,(H,21,23)
InChIKeyVZBFPBDNDMILNT-UHFFFAOYSA-N
MW328.40 g/mol
LogP4.97
Rot. Bonds3

About 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile

4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile (PubChem CID 11493617) has the molecular formula C19H12N4S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile
PubChem CID11493617
Molecular FormulaC19H12N4S
Molecular Weight328.40 g/mol
Exact Mass328.08
IUPAC Name4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C19H12N4S/c20-12-13-7-9-14(10-8-13)21-19-16-5-2-1-4-15(16)18(22-23-19)17-6-3-11-24-17/h1-11H,(H,21,23)
InChIKeyVZBFPBDNDMILNT-UHFFFAOYSA-N
XLogP4.97
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]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

N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine
CID 82191464
N-benzyl-4-thiophen-2-ylphthalazin-1-amine
CID 6401108
N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
CID 82191605
N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
N-[4-[[3-(2H-pyrazolo[3,4-b]pyridin-4-yl)-2-pyridinyl]oxy]phenyl]-4-thiophen-2-ylphthalazin-1-amine
CID 137159165
4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile
CID 67317431
4-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]quinoline-7-carbonitrile
CID 67317676
4-anilinothieno[3,2-c]quinoline-7-carbonitrile
CID 50941655
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 3142176

Frequently Asked Questions

What is the IUPAC name of 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile (CID 11493617) is 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile is N#Cc1ccc(Nc2nnc(-c3cccs3)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile?
The InChIKey is VZBFPBDNDMILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4S/c20-12-13-7-9-14(10-8-13)21-19-16-5-2-1-4-15(16)18(22-23-19)17-6-3-11-24-17/h1-11H,(H,21,23).
What are the key properties of 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile?
4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile has a molecular weight of 328.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile is sourced from PubChem (CID 11493617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).