4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one

C12H11N5O — CID 15698849

IUPAC4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C12H11N5O/c1-16-10(13)9-7-14-17(11(9)15-12(16)18)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKeyZTWZZEHGOXHXOE-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.70
Rot. Bonds1

About 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one

4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698849) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698849
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C12H11N5O/c1-16-10(13)9-7-14-17(11(9)15-12(16)18)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKeyZTWZZEHGOXHXOE-UHFFFAOYSA-N
XLogP0.70
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698849) is 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one is Cn1c(N)c2cnn(-c3ccccc3)c2nc1=O.
What is the InChIKey of 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is ZTWZZEHGOXHXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-16-10(13)9-7-14-17(11(9)15-12(16)18)8-5-3-2-4-6-8/h2-7H,13H2,1H3.
What are the key properties of 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 241.25 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).