N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C10H12N8 — CID 63220908

IUPACN,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cn2cncn2)nc2c1cnn2C
InChIInChI=1S/C10H12N8/c1-11-9-7-3-13-17(2)10(7)16-8(15-9)4-18-6-12-5-14-18/h3,5-6H,4H2,1-2H3,(H,11,15,16)
InChIKeyFFLMJNAVUFXWFK-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.04
Rot. Bonds3

About N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220908) has the molecular formula C10H12N8 and a molecular weight of 244.26 g/mol. Its IUPAC name is N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220908
Molecular FormulaC10H12N8
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cn2cncn2)nc2c1cnn2C
InChIInChI=1S/C10H12N8/c1-11-9-7-3-13-17(2)10(7)16-8(15-9)4-18-6-12-5-14-18/h3,5-6H,4H2,1-2H3,(H,11,15,16)
InChIKeyFFLMJNAVUFXWFK-UHFFFAOYSA-N
XLogP0.04
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221324
1-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220999
6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221003
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-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953
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

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63220908) is N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(Cn2cncn2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FFLMJNAVUFXWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8/c1-11-9-7-3-13-17(2)10(7)16-8(15-9)4-18-6-12-5-14-18/h3,5-6H,4H2,1-2H3,(H,11,15,16).
What are the key properties of N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).