1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one

C13H19N7O — CID 104680431

IUPAC1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2nc(NN)c3cnn(C)c3n2)C1=O
InChIInChI=1S/C13H19N7O/c1-8-4-3-5-20(13(8)21)7-10-16-11(18-14)9-6-15-19(2)12(9)17-10/h6,8H,3-5,7,14H2,1-2H3,(H,16,17,18)
InChIKeyOONLUFFXJUMUIT-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.41
Rot. Bonds3

About 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one

1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one (PubChem CID 104680431) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one
PubChem CID104680431
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2nc(NN)c3cnn(C)c3n2)C1=O
InChIInChI=1S/C13H19N7O/c1-8-4-3-5-20(13(8)21)7-10-16-11(18-14)9-6-15-19(2)12(9)17-10/h6,8H,3-5,7,14H2,1-2H3,(H,16,17,18)
InChIKeyOONLUFFXJUMUIT-UHFFFAOYSA-N
XLogP0.41
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one (CID 104680431) is 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one is CC1CCCN(Cc2nc(NN)c3cnn(C)c3n2)C1=O.
What is the InChIKey of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one?
The InChIKey is OONLUFFXJUMUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-8-4-3-5-20(13(8)21)7-10-16-11(18-14)9-6-15-19(2)12(9)17-10/h6,8H,3-5,7,14H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one?
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one has a molecular weight of 289.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).