3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione

C10H11N7O2S — CID 63221538

IUPAC3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1ncc2c(NN)nc(CN3C(=O)CSC3=O)nc21
InChIInChI=1S/C10H11N7O2S/c1-16-9-5(2-12-16)8(15-11)13-6(14-9)3-17-7(18)4-20-10(17)19/h2H,3-4,11H2,1H3,(H,13,14,15)
InChIKeyKWVAWJNWPJIBGQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.16
Rot. Bonds3

About 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione

3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 63221538) has the molecular formula C10H11N7O2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID63221538
Molecular FormulaC10H11N7O2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1ncc2c(NN)nc(CN3C(=O)CSC3=O)nc21
InChIInChI=1S/C10H11N7O2S/c1-16-9-5(2-12-16)8(15-11)13-6(14-9)3-17-7(18)4-20-10(17)19/h2H,3-4,11H2,1H3,(H,13,14,15)
InChIKeyKWVAWJNWPJIBGQ-UHFFFAOYSA-N
XLogP-0.16
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione (CID 63221538) is 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione is Cn1ncc2c(NN)nc(CN3C(=O)CSC3=O)nc21.
What is the InChIKey of 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is KWVAWJNWPJIBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2S/c1-16-9-5(2-12-16)8(15-11)13-6(14-9)3-17-7(18)4-20-10(17)19/h2H,3-4,11H2,1H3,(H,13,14,15).
What are the key properties of 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 293.31 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 63221538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).