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

C13H13N5O — CID 15698867

IUPAC4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C13H13N5O/c1-2-17-11(14)10-8-15-18(12(10)16-13(17)19)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKeyZDBJRDOIXITEKT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.18
Rot. Bonds2

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

4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698867) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698867
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C13H13N5O/c1-2-17-11(14)10-8-15-18(12(10)16-13(17)19)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKeyZDBJRDOIXITEKT-UHFFFAOYSA-N
XLogP1.18
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698867) is 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one is CCn1c(N)c2cnn(-c3ccccc3)c2nc1=O.
What is the InChIKey of 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is ZDBJRDOIXITEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-17-11(14)10-8-15-18(12(10)16-13(17)19)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3.
What are the key properties of 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 255.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).