6-(5-methylthiophen-2-yl)pyridazin-3-amine

C9H9N3S — CID 62202679

IUPAC6-(5-methylthiophen-2-yl)pyridazin-3-amine
SMILESCc1ccc(-c2ccc(N)nn2)s1
InChIInChI=1S/C9H9N3S/c1-6-2-4-8(13-6)7-3-5-9(10)12-11-7/h2-5H,1H3,(H2,10,12)
InChIKeyNXLLZBLJYDLBEZ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.10
Rot. Bonds1

About 6-(5-methylthiophen-2-yl)pyridazin-3-amine

6-(5-methylthiophen-2-yl)pyridazin-3-amine (PubChem CID 62202679) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)pyridazin-3-amine
PubChem CID62202679
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name6-(5-methylthiophen-2-yl)pyridazin-3-amine
SMILESCc1ccc(-c2ccc(N)nn2)s1
InChIInChI=1S/C9H9N3S/c1-6-2-4-8(13-6)7-3-5-9(10)12-11-7/h2-5H,1H3,(H2,10,12)
InChIKeyNXLLZBLJYDLBEZ-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)pyridazin-3-amine?
The IUPAC name of 6-(5-methylthiophen-2-yl)pyridazin-3-amine (CID 62202679) is 6-(5-methylthiophen-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-(5-methylthiophen-2-yl)pyridazin-3-amine is Cc1ccc(-c2ccc(N)nn2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)pyridazin-3-amine?
The InChIKey is NXLLZBLJYDLBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-6-2-4-8(13-6)7-3-5-9(10)12-11-7/h2-5H,1H3,(H2,10,12).
What are the key properties of 6-(5-methylthiophen-2-yl)pyridazin-3-amine?
6-(5-methylthiophen-2-yl)pyridazin-3-amine has a molecular weight of 191.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)pyridazin-3-amine is sourced from PubChem (CID 62202679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).