6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C12H16N8 — CID 63221324

IUPAC6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cn2nc(C)nc2C)nc2c1cnn2C
InChIInChI=1S/C12H16N8/c1-7-15-8(2)20(18-7)6-10-16-11(13-3)9-5-14-19(4)12(9)17-10/h5H,6H2,1-4H3,(H,13,16,17)
InChIKeyBSGPUKQHBZERNT-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.66
Rot. Bonds3

About 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221324) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221324
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cn2nc(C)nc2C)nc2c1cnn2C
InChIInChI=1S/C12H16N8/c1-7-15-8(2)20(18-7)6-10-16-11(13-3)9-5-14-19(4)12(9)17-10/h5H,6H2,1-4H3,(H,13,16,17)
InChIKeyBSGPUKQHBZERNT-UHFFFAOYSA-N
XLogP0.66
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine 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

6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221003
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
1-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220999
3-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64830431
N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220746
6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220823
N,1-dimethyl-6-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63222068
6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103538617
6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006493
N,1-dimethyl-6-[[methyl(pentan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220534
ethyl 2-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]acetate
CID 63222156

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63221324) is 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(Cn2nc(C)nc2C)nc2c1cnn2C.
What is the InChIKey of 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BSGPUKQHBZERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-7-15-8(2)20(18-7)6-10-16-11(13-3)9-5-14-19(4)12(9)17-10/h5H,6H2,1-4H3,(H,13,16,17).
What are the key properties of 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 272.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).