3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine

C15H20N4 — CID 116970758

IUPAC3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
SMILESCc1ccc(-c2ccc(NC(C)CCN)nn2)cc1
InChIInChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)14-7-8-15(19-18-14)17-12(2)9-10-16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyMGUXNCHCEWZUFM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.60
Rot. Bonds5

About 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine

3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine (PubChem CID 116970758) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
PubChem CID116970758
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine
SMILESCc1ccc(-c2ccc(NC(C)CCN)nn2)cc1
InChIInChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)14-7-8-15(19-18-14)17-12(2)9-10-16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19)
InChIKeyMGUXNCHCEWZUFM-UHFFFAOYSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-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 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
The IUPAC name of 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine (CID 116970758) is 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine.
What is the SMILES notation for 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
The canonical SMILES for 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine is Cc1ccc(-c2ccc(NC(C)CCN)nn2)cc1.
What is the InChIKey of 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
The InChIKey is MGUXNCHCEWZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)14-7-8-15(19-18-14)17-12(2)9-10-16/h3-8,12H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine?
3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[6-(4-methylphenyl)pyridazin-3-yl]butane-1,3-diamine is sourced from PubChem (CID 116970758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).