[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C12H11ClN6 — CID 4737111

IUPAC[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(Cl)cc1-n1ncc2c(NN)ncnc21
InChIInChI=1S/C12H11ClN6/c1-7-2-3-8(13)4-10(7)19-12-9(5-17-19)11(18-14)15-6-16-12/h2-6H,14H2,1H3,(H,15,16,18)
InChIKeyJLIVTNSKOSLMPH-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.06
Rot. Bonds2

About [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 4737111) has the molecular formula C12H11ClN6 and a molecular weight of 274.72 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID4737111
Molecular FormulaC12H11ClN6
Molecular Weight274.72 g/mol
Exact Mass274.07
IUPAC Name[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(Cl)cc1-n1ncc2c(NN)ncnc21
InChIInChI=1S/C12H11ClN6/c1-7-2-3-8(13)4-10(7)19-12-9(5-17-19)11(18-14)15-6-16-12/h2-6H,14H2,1H3,(H,15,16,18)
InChIKeyJLIVTNSKOSLMPH-UHFFFAOYSA-N
XLogP2.06
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.06
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-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 4737111) is [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cc1ccc(Cl)cc1-n1ncc2c(NN)ncnc21.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is JLIVTNSKOSLMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c1-7-2-3-8(13)4-10(7)19-12-9(5-17-19)11(18-14)15-6-16-12/h2-6H,14H2,1H3,(H,15,16,18).
What are the key properties of [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 274.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 4737111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).