[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C11H9ClN6 — CID 82192496

IUPAC[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C11H9ClN6/c12-8-3-1-2-4-9(8)18-11-7(5-16-18)10(17-13)14-6-15-11/h1-6H,13H2,(H,14,15,17)
InChIKeyRWSOIGCVUFAOST-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.75
Rot. Bonds2

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

[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 82192496) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID82192496
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C11H9ClN6/c12-8-3-1-2-4-9(8)18-11-7(5-16-18)10(17-13)14-6-15-11/h1-6H,13H2,(H,14,15,17)
InChIKeyRWSOIGCVUFAOST-UHFFFAOYSA-N
XLogP1.75
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 82192496) is [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is NNc1ncnc2c1cnn2-c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is RWSOIGCVUFAOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-8-3-1-2-4-9(8)18-11-7(5-16-18)10(17-13)14-6-15-11/h1-6H,13H2,(H,14,15,17).
What are the key properties of [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 260.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82192496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).