3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine

C8H10N4S3 — CID 621027

IUPAC3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCSc1nc(SC)c2c(SC)n[nH]c2n1
InChIInChI=1S/C8H10N4S3/c1-13-6-4-5(9-8(10-6)15-3)11-12-7(4)14-2/h1-3H3,(H,9,10,11,12)
InChIKeyZSZAJENFDFXVOW-UHFFFAOYSA-N
MW258.40 g/mol
LogP2.52
Rot. Bonds3

About 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine

3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 621027) has the molecular formula C8H10N4S3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID621027
Molecular FormulaC8H10N4S3
Molecular Weight258.40 g/mol
Exact Mass258.01
IUPAC Name3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCSc1nc(SC)c2c(SC)n[nH]c2n1
InChIInChI=1S/C8H10N4S3/c1-13-6-4-5(9-8(10-6)15-3)11-12-7(4)14-2/h1-3H3,(H,9,10,11,12)
InChIKeyZSZAJENFDFXVOW-UHFFFAOYSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine (CID 621027) is 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine is CSc1nc(SC)c2c(SC)n[nH]c2n1.
What is the InChIKey of 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is ZSZAJENFDFXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S3/c1-13-6-4-5(9-8(10-6)15-3)11-12-7(4)14-2/h1-3H3,(H,9,10,11,12).
What are the key properties of 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine?
3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 258.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-tris(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 621027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).