4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one

C12H12N6O — CID 15698876

IUPAC4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3ccc(N)cc3)c2nc1=O
InChIInChI=1S/C12H12N6O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-7(13)3-5-8/h2-6H,13-14H2,1H3
InChIKeyNEQHGEVCAVGFOB-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.28
Rot. Bonds1

About 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one

4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698876) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698876
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3ccc(N)cc3)c2nc1=O
InChIInChI=1S/C12H12N6O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-7(13)3-5-8/h2-6H,13-14H2,1H3
InChIKeyNEQHGEVCAVGFOB-UHFFFAOYSA-N
XLogP0.28
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698876) is 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is Cn1c(N)c2cnn(-c3ccc(N)cc3)c2nc1=O.
What is the InChIKey of 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is NEQHGEVCAVGFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-7(13)3-5-8/h2-6H,13-14H2,1H3.
What are the key properties of 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 256.27 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).