8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one

C11H9ClN6O — CID 156562875

IUPAC8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one
SMILESNNc1[nH]c(=O)nc2nc(-c3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C11H9ClN6O/c12-6-3-1-5(2-4-6)8-14-7-9(15-8)16-11(19)17-10(7)18-13/h1-4H,13H2,(H3,14,15,16,17,18,19)
InChIKeyIEWSISCLKKBRRK-UHFFFAOYSA-N
MW276.69 g/mol
LogP1.25
Rot. Bonds2

About 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one

8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one (PubChem CID 156562875) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one
PubChem CID156562875
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one
SMILESNNc1[nH]c(=O)nc2nc(-c3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C11H9ClN6O/c12-6-3-1-5(2-4-6)8-14-7-9(15-8)16-11(19)17-10(7)18-13/h1-4H,13H2,(H3,14,15,16,17,18,19)
InChIKeyIEWSISCLKKBRRK-UHFFFAOYSA-N
XLogP1.25
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one?
The IUPAC name of 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one (CID 156562875) is 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one.
What is the SMILES notation for 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one?
The canonical SMILES for 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one is NNc1[nH]c(=O)nc2nc(-c3ccc(Cl)cc3)[nH]c12.
What is the InChIKey of 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one?
The InChIKey is IEWSISCLKKBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c12-6-3-1-5(2-4-6)8-14-7-9(15-8)16-11(19)17-10(7)18-13/h1-4H,13H2,(H3,14,15,16,17,18,19).
What are the key properties of 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one?
8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one has a molecular weight of 276.69 g/mol, XLogP of 1.25, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-hydrazinyl-1,7-dihydropurin-2-one is sourced from PubChem (CID 156562875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).