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

C13H14N6 — CID 930618

IUPAC[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(Cn2ncc3c(NN)ncnc32)cc1
InChIInChI=1S/C13H14N6/c1-9-2-4-10(5-3-9)7-19-13-11(6-17-19)12(18-14)15-8-16-13/h2-6,8H,7,14H2,1H3,(H,15,16,18)
InChIKeyCDTKKVKZZZGALS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.47
Rot. Bonds3

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

[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 930618) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID930618
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(Cn2ncc3c(NN)ncnc32)cc1
InChIInChI=1S/C13H14N6/c1-9-2-4-10(5-3-9)7-19-13-11(6-17-19)12(18-14)15-8-16-13/h2-6,8H,7,14H2,1H3,(H,15,16,18)
InChIKeyCDTKKVKZZZGALS-UHFFFAOYSA-N
XLogP1.47
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.47
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'}

Analyze [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 930210
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 930586
4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 3659259
(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 165449025
1-benzyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 1069524
1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 711559
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
10-benzyl-4-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 753586
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205340
1-benzyl-N-(2,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4897823

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 930618) is [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cc1ccc(Cn2ncc3c(NN)ncnc32)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is CDTKKVKZZZGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-2-4-10(5-3-9)7-19-13-11(6-17-19)12(18-14)15-8-16-13/h2-6,8H,7,14H2,1H3,(H,15,16,18).
What are the key properties of [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 254.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 930618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).