4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol

C11H9N5O — CID 166336979

IUPAC4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol
SMILESOc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H9N5O/c17-8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10/h1-6,17H,(H2,12,13,14,15,16)
InChIKeyCYVMHRGKORJQSK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.80
Rot. Bonds2

About 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol

4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol (PubChem CID 166336979) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol.

Molecular Properties

Compound Name4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol
PubChem CID166336979
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol
SMILESOc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H9N5O/c17-8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10/h1-6,17H,(H2,12,13,14,15,16)
InChIKeyCYVMHRGKORJQSK-UHFFFAOYSA-N
XLogP1.80
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol?
The IUPAC name of 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol (CID 166336979) is 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol.
What is the SMILES notation for 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol?
The canonical SMILES for 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol is Oc1ccc(Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol?
The InChIKey is CYVMHRGKORJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c17-8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10/h1-6,17H,(H2,12,13,14,15,16).
What are the key properties of 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol?
4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol has a molecular weight of 227.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenol is sourced from PubChem (CID 166336979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).