3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C12H10N6O — CID 88882373

IUPAC3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(Cc3cccc(N=O)c3)c12
InChIInChI=1S/C12H10N6O/c13-11-10-9(16-17-12(10)15-6-14-11)5-7-2-1-3-8(4-7)18-19/h1-4,6H,5H2,(H3,13,14,15,16,17)
InChIKeyCHUBZOCZAWTNFI-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.92
Rot. Bonds3

About 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 88882373) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID88882373
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(Cc3cccc(N=O)c3)c12
InChIInChI=1S/C12H10N6O/c13-11-10-9(16-17-12(10)15-6-14-11)5-7-2-1-3-8(4-7)18-19/h1-4,6H,5H2,(H3,13,14,15,16,17)
InChIKeyCHUBZOCZAWTNFI-UHFFFAOYSA-N
XLogP1.92
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 88882373) is 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(Cc3cccc(N=O)c3)c12.
What is the InChIKey of 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CHUBZOCZAWTNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-11-10-9(16-17-12(10)15-6-14-11)5-7-2-1-3-8(4-7)18-19/h1-4,6H,5H2,(H3,13,14,15,16,17).
What are the key properties of 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 254.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitrosophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 88882373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).