1-ethylpyrazolo[3,4-d]pyrimidin-4-amine

C7H9N5 — CID 57375998

IUPAC1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(N)ncnc21
InChIInChI=1S/C7H9N5/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKeyZKQQZCHGRXLMOI-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.43
Rot. Bonds1

About 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine

1-ethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57375998) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57375998
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(N)ncnc21
InChIInChI=1S/C7H9N5/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKeyZKQQZCHGRXLMOI-UHFFFAOYSA-N
XLogP0.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 57375998) is 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1ncc2c(N)ncnc21.
What is the InChIKey of 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZKQQZCHGRXLMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3,(H2,8,9,10).
What are the key properties of 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
1-ethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 163.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57375998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).