1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H18N8 — CID 133314352

IUPAC1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1cnnc1CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H18N8/c1-12(2)24-11-21-23-15(24)9-18-16-14-8-22-25(17(14)20-10-19-16)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19,20)
InChIKeyAZRBPIJGCZREQJ-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.60
Rot. Bonds5

About 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133314352) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133314352
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1cnnc1CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H18N8/c1-12(2)24-11-21-23-15(24)9-18-16-14-8-22-25(17(14)20-10-19-16)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19,20)
InChIKeyAZRBPIJGCZREQJ-UHFFFAOYSA-N
XLogP2.60
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 866514
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
3-bromo-1-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133312687
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205324
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 133314352) is 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1cnnc1CNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AZRBPIJGCZREQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-12(2)24-11-21-23-15(24)9-18-16-14-8-22-25(17(14)20-10-19-16)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 334.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133314352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).