6-hydrazinyl-2-methylisoquinolin-1-one

C10H11N3O — CID 69398353

IUPAC6-hydrazinyl-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(NN)ccc2c1=O
InChIInChI=1S/C10H11N3O/c1-13-5-4-7-6-8(12-11)2-3-9(7)10(13)14/h2-6,12H,11H2,1H3
InChIKeyGHXXAKDYDJSGOG-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.82
Rot. Bonds1

About 6-hydrazinyl-2-methylisoquinolin-1-one

6-hydrazinyl-2-methylisoquinolin-1-one (PubChem CID 69398353) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name6-hydrazinyl-2-methylisoquinolin-1-one
PubChem CID69398353
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name6-hydrazinyl-2-methylisoquinolin-1-one
SMILESCn1ccc2cc(NN)ccc2c1=O
InChIInChI=1S/C10H11N3O/c1-13-5-4-7-6-8(12-11)2-3-9(7)10(13)14/h2-6,12H,11H2,1H3
InChIKeyGHXXAKDYDJSGOG-UHFFFAOYSA-N
XLogP0.82
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-hydrazinyl-2-methylisoquinolin-1-one?
The IUPAC name of 6-hydrazinyl-2-methylisoquinolin-1-one (CID 69398353) is 6-hydrazinyl-2-methylisoquinolin-1-one.
What is the SMILES notation for 6-hydrazinyl-2-methylisoquinolin-1-one?
The canonical SMILES for 6-hydrazinyl-2-methylisoquinolin-1-one is Cn1ccc2cc(NN)ccc2c1=O.
What is the InChIKey of 6-hydrazinyl-2-methylisoquinolin-1-one?
The InChIKey is GHXXAKDYDJSGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-5-4-7-6-8(12-11)2-3-9(7)10(13)14/h2-6,12H,11H2,1H3.
What are the key properties of 6-hydrazinyl-2-methylisoquinolin-1-one?
6-hydrazinyl-2-methylisoquinolin-1-one has a molecular weight of 189.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylisoquinolin-1-one is sourced from PubChem (CID 69398353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).