[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C10H16N6O2S2 — CID 63660317

IUPAC[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(CSCCS(C)(=O)=O)nc21
InChIInChI=1S/C10H16N6O2S2/c1-16-10-7(5-12-16)9(15-11)13-8(14-10)6-19-3-4-20(2,17)18/h5H,3-4,6,11H2,1-2H3,(H,13,14,15)
InChIKeyIWWUVHVDJIJWOC-UHFFFAOYSA-N
MW316.41 g/mol
LogP-0.07
Rot. Bonds6

About [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 63660317) has the molecular formula C10H16N6O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID63660317
Molecular FormulaC10H16N6O2S2
Molecular Weight316.41 g/mol
Exact Mass316.08
IUPAC Name[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(CSCCS(C)(=O)=O)nc21
InChIInChI=1S/C10H16N6O2S2/c1-16-10-7(5-12-16)9(15-11)13-8(14-10)6-19-3-4-20(2,17)18/h5H,3-4,6,11H2,1-2H3,(H,13,14,15)
InChIKeyIWWUVHVDJIJWOC-UHFFFAOYSA-N
XLogP-0.07
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 63660317) is [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cn1ncc2c(NN)nc(CSCCS(C)(=O)=O)nc21.
What is the InChIKey of [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is IWWUVHVDJIJWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S2/c1-16-10-7(5-12-16)9(15-11)13-8(14-10)6-19-3-4-20(2,17)18/h5H,3-4,6,11H2,1-2H3,(H,13,14,15).
What are the key properties of [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 316.41 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63660317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).