1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one

C10H16N6O — CID 163651118

IUPAC1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one
SMILESCC(C)n1cnc2c(=O)n(CCNN)cnc21
InChIInChI=1S/C10H16N6O/c1-7(2)16-6-12-8-9(16)13-5-15(10(8)17)4-3-14-11/h5-7,14H,3-4,11H2,1-2H3
InChIKeyIMHYUNCCKUBZCL-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.36
Rot. Bonds4

About 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one

1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one (PubChem CID 163651118) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one.

Molecular Properties

Compound Name1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one
PubChem CID163651118
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one
SMILESCC(C)n1cnc2c(=O)n(CCNN)cnc21
InChIInChI=1S/C10H16N6O/c1-7(2)16-6-12-8-9(16)13-5-15(10(8)17)4-3-14-11/h5-7,14H,3-4,11H2,1-2H3
InChIKeyIMHYUNCCKUBZCL-UHFFFAOYSA-N
XLogP-0.36
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.36
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-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one?
The IUPAC name of 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one (CID 163651118) is 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one.
What is the SMILES notation for 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one?
The canonical SMILES for 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one is CC(C)n1cnc2c(=O)n(CCNN)cnc21.
What is the InChIKey of 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one?
The InChIKey is IMHYUNCCKUBZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-7(2)16-6-12-8-9(16)13-5-15(10(8)17)4-3-14-11/h5-7,14H,3-4,11H2,1-2H3.
What are the key properties of 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one?
1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one has a molecular weight of 236.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinylethyl)-9-propan-2-ylpurin-6-one is sourced from PubChem (CID 163651118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).