3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C13H15N5S — CID 71932052

IUPAC3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc(C(C)Nc2ccc3nnc(C)n3n2)s1
InChIInChI=1S/C13H15N5S/c1-8-4-5-11(19-8)9(2)14-12-6-7-13-16-15-10(3)18(13)17-12/h4-7,9H,1-3H3,(H,14,17)
InChIKeyHXUSANLWRFOEMY-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.98
Rot. Bonds3

About 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71932052) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71932052
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc(C(C)Nc2ccc3nnc(C)n3n2)s1
InChIInChI=1S/C13H15N5S/c1-8-4-5-11(19-8)9(2)14-12-6-7-13-16-15-10(3)18(13)17-12/h4-7,9H,1-3H3,(H,14,17)
InChIKeyHXUSANLWRFOEMY-UHFFFAOYSA-N
XLogP2.98
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71932052) is 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1ccc(C(C)Nc2ccc3nnc(C)n3n2)s1.
What is the InChIKey of 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is HXUSANLWRFOEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-8-4-5-11(19-8)9(2)14-12-6-7-13-16-15-10(3)18(13)17-12/h4-7,9H,1-3H3,(H,14,17).
What are the key properties of 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 273.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71932052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).