4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine

C15H15N5 — CID 116973579

IUPAC4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)c1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C15H15N5/c1-20(12-6-4-11(16)5-7-12)15-9-8-14(18-19-15)13-3-2-10-17-13/h2-10,17H,16H2,1H3
InChIKeyZBDIRHXUVYUEQJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.82
Rot. Bonds3

About 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine

4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine (PubChem CID 116973579) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine
PubChem CID116973579
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)c1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C15H15N5/c1-20(12-6-4-11(16)5-7-12)15-9-8-14(18-19-15)13-3-2-10-17-13/h2-10,17H,16H2,1H3
InChIKeyZBDIRHXUVYUEQJ-UHFFFAOYSA-N
XLogP2.82
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine (CID 116973579) is 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine is CN(c1ccc(N)cc1)c1ccc(-c2ccc[nH]2)nn1.
What is the InChIKey of 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine?
The InChIKey is ZBDIRHXUVYUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-20(12-6-4-11(16)5-7-12)15-9-8-14(18-19-15)13-3-2-10-17-13/h2-10,17H,16H2,1H3.
What are the key properties of 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine?
4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]benzene-1,4-diamine is sourced from PubChem (CID 116973579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).