2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine

C12H16N4S — CID 116970554

IUPAC2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCc1ccsc1-c1ccc(NC(C)CN)nn1
InChIInChI=1S/C12H16N4S/c1-8-5-6-17-12(8)10-3-4-11(16-15-10)14-9(2)7-13/h3-6,9H,7,13H2,1-2H3,(H,14,16)
InChIKeyCGTZLYIZLYIFDM-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.27
Rot. Bonds4

About 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine

2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine (PubChem CID 116970554) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine
PubChem CID116970554
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCc1ccsc1-c1ccc(NC(C)CN)nn1
InChIInChI=1S/C12H16N4S/c1-8-5-6-17-12(8)10-3-4-11(16-15-10)14-9(2)7-13/h3-6,9H,7,13H2,1-2H3,(H,14,16)
InChIKeyCGTZLYIZLYIFDM-UHFFFAOYSA-N
XLogP2.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine (CID 116970554) is 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine is Cc1ccsc1-c1ccc(NC(C)CN)nn1.
What is the InChIKey of 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The InChIKey is CGTZLYIZLYIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-5-6-17-12(8)10-3-4-11(16-15-10)14-9(2)7-13/h3-6,9H,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine?
2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine is sourced from PubChem (CID 116970554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).