3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C11H9N5O — CID 135577998

IUPAC3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(Nc3ccccc3)c12
InChIInChI=1S/C11H9N5O/c17-11-8-9(12-6-13-11)15-16-10(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
InChIKeyIJABHNBUIYHHIG-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.39
Rot. Bonds2

About 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135577998) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135577998
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(Nc3ccccc3)c12
InChIInChI=1S/C11H9N5O/c17-11-8-9(12-6-13-11)15-16-10(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
InChIKeyIJABHNBUIYHHIG-UHFFFAOYSA-N
XLogP1.39
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 135577998) is 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2n[nH]c(Nc3ccccc3)c12.
What is the InChIKey of 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is IJABHNBUIYHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c17-11-8-9(12-6-13-11)15-16-10(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17).
What are the key properties of 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 227.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135577998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).