1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine

C14H18N4 — CID 116973321

IUPAC1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine
SMILESCC(N)CN(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C14H18N4/c1-11(15)10-18(2)14-9-8-13(16-17-14)12-6-4-3-5-7-12/h3-9,11H,10,15H2,1-2H3
InChIKeyZLMGEXIQGCEMQH-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.93
Rot. Bonds4

About 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine

1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 116973321) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine
PubChem CID116973321
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine
SMILESCC(N)CN(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C14H18N4/c1-11(15)10-18(2)14-9-8-13(16-17-14)12-6-4-3-5-7-12/h3-9,11H,10,15H2,1-2H3
InChIKeyZLMGEXIQGCEMQH-UHFFFAOYSA-N
XLogP1.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-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 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine (CID 116973321) is 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine is CC(N)CN(C)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is ZLMGEXIQGCEMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11(15)10-18(2)14-9-8-13(16-17-14)12-6-4-3-5-7-12/h3-9,11H,10,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine?
1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 116973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).