3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C9H8N6 — CID 141186669

IUPAC3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]nc(-n3cccc3)c12
InChIInChI=1S/C9H8N6/c10-7-6-8(12-5-11-7)13-14-9(6)15-3-1-2-4-15/h1-5H,(H3,10,11,12,13,14)
InChIKeyUPUQLNHHWFPCIM-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.73
Rot. Bonds1

About 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141186669) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141186669
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]nc(-n3cccc3)c12
InChIInChI=1S/C9H8N6/c10-7-6-8(12-5-11-7)13-14-9(6)15-3-1-2-4-15/h1-5H,(H3,10,11,12,13,14)
InChIKeyUPUQLNHHWFPCIM-UHFFFAOYSA-N
XLogP0.73
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 141186669) is 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2[nH]nc(-n3cccc3)c12.
What is the InChIKey of 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UPUQLNHHWFPCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c10-7-6-8(12-5-11-7)13-14-9(6)15-3-1-2-4-15/h1-5H,(H3,10,11,12,13,14).
What are the key properties of 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 200.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141186669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).