N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine

C11H12BrN3OS — CID 133375219

IUPACN-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NCCc2ccc(Br)o2)nn1
InChIInChI=1S/C11H12BrN3OS/c1-17-11-5-4-10(14-15-11)13-7-6-8-2-3-9(12)16-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyMOEMGNRMGQLESO-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine

N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine (PubChem CID 133375219) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine
PubChem CID133375219
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC NameN-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NCCc2ccc(Br)o2)nn1
InChIInChI=1S/C11H12BrN3OS/c1-17-11-5-4-10(14-15-11)13-7-6-8-2-3-9(12)16-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyMOEMGNRMGQLESO-UHFFFAOYSA-N
XLogP3.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
The IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine (CID 133375219) is N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine is CSc1ccc(NCCc2ccc(Br)o2)nn1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
The InChIKey is MOEMGNRMGQLESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-17-11-5-4-10(14-15-11)13-7-6-8-2-3-9(12)16-8/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine has a molecular weight of 314.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)ethyl]-6-methylsulfanylpyridazin-3-amine is sourced from PubChem (CID 133375219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).