1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C10H11N7 — CID 43543834

IUPAC1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1cc(Nc2ncnc3c2cnn3C)cn1
InChIInChI=1S/C10H11N7/c1-16-5-7(3-13-16)15-9-8-4-14-17(2)10(8)12-6-11-9/h3-6H,1-2H3,(H,11,12,15)
InChIKeyLZHUROGTVJCHJS-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.84
Rot. Bonds2

About 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 43543834) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID43543834
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1cc(Nc2ncnc3c2cnn3C)cn1
InChIInChI=1S/C10H11N7/c1-16-5-7(3-13-16)15-9-8-4-14-17(2)10(8)12-6-11-9/h3-6H,1-2H3,(H,11,12,15)
InChIKeyLZHUROGTVJCHJS-UHFFFAOYSA-N
XLogP0.84
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 43543834) is 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1cc(Nc2ncnc3c2cnn3C)cn1.
What is the InChIKey of 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LZHUROGTVJCHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c1-16-5-7(3-13-16)15-9-8-4-14-17(2)10(8)12-6-11-9/h3-6H,1-2H3,(H,11,12,15).
What are the key properties of 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 229.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 43543834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).