N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine

C14H18N4 — CID 6410651

IUPACN'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cc(-c2ccccc2)nnc1NCCCN
InChIInChI=1S/C14H18N4/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18)
InChIKeyVIUDAFUCYIXLKN-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.21
Rot. Bonds5

About N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine

N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 6410651) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine
PubChem CID6410651
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cc(-c2ccccc2)nnc1NCCCN
InChIInChI=1S/C14H18N4/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18)
InChIKeyVIUDAFUCYIXLKN-UHFFFAOYSA-N
XLogP2.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-methyl-6-phenylpyridazin-3-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

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine (CID 6410651) is N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine is Cc1cc(-c2ccccc2)nnc1NCCCN.
What is the InChIKey of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is VIUDAFUCYIXLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-10-13(12-6-3-2-4-7-12)17-18-14(11)16-9-5-8-15/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,18).
What are the key properties of N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine?
N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-phenylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 6410651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).