[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C9H12F2N6O — CID 82007218

IUPAC[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(COCC(F)F)nc21
InChIInChI=1S/C9H12F2N6O/c1-17-9-5(2-13-17)8(16-12)14-7(15-9)4-18-3-6(10)11/h2,6H,3-4,12H2,1H3,(H,14,15,16)
InChIKeyDSRPPFYTHBCUFG-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.43
Rot. Bonds5

About [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 82007218) has the molecular formula C9H12F2N6O and a molecular weight of 258.23 g/mol. Its IUPAC name is [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID82007218
Molecular FormulaC9H12F2N6O
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Name[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(COCC(F)F)nc21
InChIInChI=1S/C9H12F2N6O/c1-17-9-5(2-13-17)8(16-12)14-7(15-9)4-18-3-6(10)11/h2,6H,3-4,12H2,1H3,(H,14,15,16)
InChIKeyDSRPPFYTHBCUFG-UHFFFAOYSA-N
XLogP0.43
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 82007218) is [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cn1ncc2c(NN)nc(COCC(F)F)nc21.
What is the InChIKey of [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is DSRPPFYTHBCUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N6O/c1-17-9-5(2-13-17)8(16-12)14-7(15-9)4-18-3-6(10)11/h2,6H,3-4,12H2,1H3,(H,14,15,16).
What are the key properties of [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 258.23 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82007218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).