N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine

C16H22N4O — CID 82191585

IUPACN'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine
SMILESCCCOc1ccc(-c2ccc(NCCCN)nn2)cc1
InChIInChI=1S/C16H22N4O/c1-2-12-21-14-6-4-13(5-7-14)15-8-9-16(20-19-15)18-11-3-10-17/h4-9H,2-3,10-12,17H2,1H3,(H,18,20)
InChIKeyKFDZQRAQKYLQSV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds8

About N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine

N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine (PubChem CID 82191585) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine
PubChem CID82191585
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine
SMILESCCCOc1ccc(-c2ccc(NCCCN)nn2)cc1
InChIInChI=1S/C16H22N4O/c1-2-12-21-14-6-4-13(5-7-14)15-8-9-16(20-19-15)18-11-3-10-17/h4-9H,2-3,10-12,17H2,1H3,(H,18,20)
InChIKeyKFDZQRAQKYLQSV-UHFFFAOYSA-N
XLogP2.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[6-(4-propoxyphenyl)pyridazin-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

Related Compounds

3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
6-(4-ethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203548
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyridazin-3-amine
CID 98016971
N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970489
2-hydroxy-3-[4-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridazin-3-yl]phenoxy]propanoic acid
CID 129250025
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191629
3-[4-(4-aminobutoxy)phenyl]-1H-pyridazin-6-one;hydrobromide
CID 18977149
3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine
CID 173405543

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine?
The IUPAC name of N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine (CID 82191585) is N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine?
The canonical SMILES for N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine is CCCOc1ccc(-c2ccc(NCCCN)nn2)cc1.
What is the InChIKey of N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine?
The InChIKey is KFDZQRAQKYLQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-12-21-14-6-4-13(5-7-14)15-8-9-16(20-19-15)18-11-3-10-17/h4-9H,2-3,10-12,17H2,1H3,(H,18,20).
What are the key properties of N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine?
N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine is sourced from PubChem (CID 82191585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).