6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine

C18H18N4 — CID 6415561

IUPAC6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine
SMILESCc1cccc(Nc2ccc(NCc3ccccc3)nn2)c1
InChIInChI=1S/C18H18N4/c1-14-6-5-9-16(12-14)20-18-11-10-17(21-22-18)19-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyJTLGFZXBDLXFRX-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.14
Rot. Bonds5

About 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine

6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine (PubChem CID 6415561) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine
PubChem CID6415561
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine
SMILESCc1cccc(Nc2ccc(NCc3ccccc3)nn2)c1
InChIInChI=1S/C18H18N4/c1-14-6-5-9-16(12-14)20-18-11-10-17(21-22-18)19-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyJTLGFZXBDLXFRX-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine?
The IUPAC name of 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine (CID 6415561) is 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine.
What is the SMILES notation for 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine?
The canonical SMILES for 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine is Cc1cccc(Nc2ccc(NCc3ccccc3)nn2)c1.
What is the InChIKey of 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine?
The InChIKey is JTLGFZXBDLXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-6-5-9-16(12-14)20-18-11-10-17(21-22-18)19-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine?
6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-3-N-(3-methylphenyl)pyridazine-3,6-diamine is sourced from PubChem (CID 6415561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).