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

C12H12N6 — CID 46299479

IUPAC[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(-n2ncc3c(NN)ncnc32)cc1
InChIInChI=1S/C12H12N6/c1-8-2-4-9(5-3-8)18-12-10(6-16-18)11(17-13)14-7-15-12/h2-7H,13H2,1H3,(H,14,15,17)
InChIKeyGVPJRVBQDVTETN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.41
Rot. Bonds2

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

[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 46299479) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID46299479
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(-n2ncc3c(NN)ncnc32)cc1
InChIInChI=1S/C12H12N6/c1-8-2-4-9(5-3-8)18-12-10(6-16-18)11(17-13)14-7-15-12/h2-7H,13H2,1H3,(H,14,15,17)
InChIKeyGVPJRVBQDVTETN-UHFFFAOYSA-N
XLogP1.41
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.41
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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Related Compounds

4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 42612019
[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 930618
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205340
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017675
[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82192496
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
1-(4-chlorophenyl)-N-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4082477
3-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate
CID 5185638

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 46299479) is [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cc1ccc(-n2ncc3c(NN)ncnc32)cc1.
What is the InChIKey of [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is GVPJRVBQDVTETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-2-4-9(5-3-8)18-12-10(6-16-18)11(17-13)14-7-15-12/h2-7H,13H2,1H3,(H,14,15,17).
What are the key properties of [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 240.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 46299479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).