2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C10H9N5S2 — CID 2819378

IUPAC2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(N)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C10H9N5S2/c1-16-10-12-8-5-6(7-3-2-4-17-7)14-15(8)9(11)13-10/h2-5H,1H3,(H2,11,12,13)
InChIKeyNGFYBHFJAUURFA-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.16
Rot. Bonds2

About 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 2819378) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID2819378
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(N)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C10H9N5S2/c1-16-10-12-8-5-6(7-3-2-4-17-7)14-15(8)9(11)13-10/h2-5H,1H3,(H2,11,12,13)
InChIKeyNGFYBHFJAUURFA-UHFFFAOYSA-N
XLogP2.16
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 2819378) is 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CSc1nc(N)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is NGFYBHFJAUURFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-16-10-12-8-5-6(7-3-2-4-17-7)14-15(8)9(11)13-10/h2-5H,1H3,(H2,11,12,13).
What are the key properties of 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 263.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 2819378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).