6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one

C9H10N3O2P — CID 91562712

IUPAC6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one
SMILESNNc1ccc2c(O)n(P)c(=O)cc2c1
InChIInChI=1S/C9H10N3O2P/c10-11-6-1-2-7-5(3-6)4-8(13)12(15)9(7)14/h1-4,11,14H,10,15H2
InChIKeyPKRIFTAVINTBGG-UHFFFAOYSA-N
MW223.17 g/mol
LogP0.63
Rot. Bonds1

About 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one

6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one (PubChem CID 91562712) has the molecular formula C9H10N3O2P and a molecular weight of 223.17 g/mol. Its IUPAC name is 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one.

Molecular Properties

Compound Name6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one
PubChem CID91562712
Molecular FormulaC9H10N3O2P
Molecular Weight223.17 g/mol
Exact Mass223.05
IUPAC Name6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one
SMILESNNc1ccc2c(O)n(P)c(=O)cc2c1
InChIInChI=1S/C9H10N3O2P/c10-11-6-1-2-7-5(3-6)4-8(13)12(15)9(7)14/h1-4,11,14H,10,15H2
InChIKeyPKRIFTAVINTBGG-UHFFFAOYSA-N
XLogP0.63
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one?
The IUPAC name of 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one (CID 91562712) is 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one.
What is the SMILES notation for 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one?
The canonical SMILES for 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one is NNc1ccc2c(O)n(P)c(=O)cc2c1.
What is the InChIKey of 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one?
The InChIKey is PKRIFTAVINTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3O2P/c10-11-6-1-2-7-5(3-6)4-8(13)12(15)9(7)14/h1-4,11,14H,10,15H2.
What are the key properties of 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one?
6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one has a molecular weight of 223.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-1-hydroxy-2-phosphanylisoquinolin-3-one is sourced from PubChem (CID 91562712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).