N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine

C15H16N4S — CID 82191605

IUPACN'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
SMILESNCCCNc1nnc(-c2cccs2)c2ccccc12
InChIInChI=1S/C15H16N4S/c16-8-4-9-17-15-12-6-2-1-5-11(12)14(18-19-15)13-7-3-10-20-13/h1-3,5-7,10H,4,8-9,16H2,(H,17,19)
InChIKeyRXAYILXXMAZNJF-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.12
Rot. Bonds5

About N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine

N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine (PubChem CID 82191605) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
PubChem CID82191605
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
SMILESNCCCNc1nnc(-c2cccs2)c2ccccc12
InChIInChI=1S/C15H16N4S/c16-8-4-9-17-15-12-6-2-1-5-11(12)14(18-19-15)13-7-3-10-20-13/h1-3,5-7,10H,4,8-9,16H2,(H,17,19)
InChIKeyRXAYILXXMAZNJF-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine 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-(2,5-dimethylphenyl)phthalazin-1-yl]propane-1,3-diamine
CID 82191602
N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile
CID 11493617
N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191458
N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine
CID 23876810
4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
CID 107360998
N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine
CID 58727204
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
CID 142215324
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513

Frequently Asked Questions

What is the IUPAC name of N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine (CID 82191605) is N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine is NCCCNc1nnc(-c2cccs2)c2ccccc12.
What is the InChIKey of N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine?
The InChIKey is RXAYILXXMAZNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-8-4-9-17-15-12-6-2-1-5-11(12)14(18-19-15)13-7-3-10-20-13/h1-3,5-7,10H,4,8-9,16H2,(H,17,19).
What are the key properties of N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine?
N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine is sourced from PubChem (CID 82191605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).