6-(4-methylsulfanylphenyl)pyridazin-3-amine

C11H11N3S — CID 15437454

IUPAC6-(4-methylsulfanylphenyl)pyridazin-3-amine
SMILESCSc1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C11H11N3S/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3,(H2,12,14)
InChIKeyJXUGNSLZPDMLMA-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.45
Rot. Bonds2

About 6-(4-methylsulfanylphenyl)pyridazin-3-amine

6-(4-methylsulfanylphenyl)pyridazin-3-amine (PubChem CID 15437454) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 6-(4-methylsulfanylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-methylsulfanylphenyl)pyridazin-3-amine
PubChem CID15437454
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name6-(4-methylsulfanylphenyl)pyridazin-3-amine
SMILESCSc1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C11H11N3S/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3,(H2,12,14)
InChIKeyJXUGNSLZPDMLMA-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfanylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(4-methylsulfanylphenyl)pyridazin-3-amine (CID 15437454) is 6-(4-methylsulfanylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-methylsulfanylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-methylsulfanylphenyl)pyridazin-3-amine is CSc1ccc(-c2ccc(N)nn2)cc1.
What is the InChIKey of 6-(4-methylsulfanylphenyl)pyridazin-3-amine?
The InChIKey is JXUGNSLZPDMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3,(H2,12,14).
What are the key properties of 6-(4-methylsulfanylphenyl)pyridazin-3-amine?
6-(4-methylsulfanylphenyl)pyridazin-3-amine has a molecular weight of 217.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfanylphenyl)pyridazin-3-amine is sourced from PubChem (CID 15437454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).