N-benzyl-5-(3-bromophenyl)pyridazin-3-amine

C17H14BrN3 — CID 10359880

IUPACN-benzyl-5-(3-bromophenyl)pyridazin-3-amine
SMILESBrc1cccc(-c2cnnc(NCc3ccccc3)c2)c1
InChIInChI=1S/C17H14BrN3/c18-16-8-4-7-14(9-16)15-10-17(21-20-12-15)19-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,21)
InChIKeyHDLNHNIGZWGTPR-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.52
Rot. Bonds4

About N-benzyl-5-(3-bromophenyl)pyridazin-3-amine

N-benzyl-5-(3-bromophenyl)pyridazin-3-amine (PubChem CID 10359880) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-benzyl-5-(3-bromophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(3-bromophenyl)pyridazin-3-amine
PubChem CID10359880
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC NameN-benzyl-5-(3-bromophenyl)pyridazin-3-amine
SMILESBrc1cccc(-c2cnnc(NCc3ccccc3)c2)c1
InChIInChI=1S/C17H14BrN3/c18-16-8-4-7-14(9-16)15-10-17(21-20-12-15)19-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,21)
InChIKeyHDLNHNIGZWGTPR-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-bromophenyl)pyridazin-3-amine?
The IUPAC name of N-benzyl-5-(3-bromophenyl)pyridazin-3-amine (CID 10359880) is N-benzyl-5-(3-bromophenyl)pyridazin-3-amine.
What is the SMILES notation for N-benzyl-5-(3-bromophenyl)pyridazin-3-amine?
The canonical SMILES for N-benzyl-5-(3-bromophenyl)pyridazin-3-amine is Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-5-(3-bromophenyl)pyridazin-3-amine?
The InChIKey is HDLNHNIGZWGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3/c18-16-8-4-7-14(9-16)15-10-17(21-20-12-15)19-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,21).
What are the key properties of N-benzyl-5-(3-bromophenyl)pyridazin-3-amine?
N-benzyl-5-(3-bromophenyl)pyridazin-3-amine has a molecular weight of 340.22 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-bromophenyl)pyridazin-3-amine is sourced from PubChem (CID 10359880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).