ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one

C12H17N3O — CID 142195634

IUPACethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one
SMILESCC.Cc1ccc2c(=O)[nH]c(NN)cc2c1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-2-3-8-7(4-6)5-9(13-11)12-10(8)14;1-2/h2-5H,11H2,1H3,(H2,12,13,14);1-2H3
InChIKeyJSBOAAGJYMXFES-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.15
Rot. Bonds1

About ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one

ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one (PubChem CID 142195634) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Nameethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one
PubChem CID142195634
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Nameethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one
SMILESCC.Cc1ccc2c(=O)[nH]c(NN)cc2c1
InChIInChI=1S/C10H11N3O.C2H6/c1-6-2-3-8-7(4-6)5-9(13-11)12-10(8)14;1-2/h2-5H,11H2,1H3,(H2,12,13,14);1-2H3
InChIKeyJSBOAAGJYMXFES-UHFFFAOYSA-N
XLogP2.15
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid
CID 142195716
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
3-(4-methylanilino)-2H-isoquinolin-1-one
CID 5130755
2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
CID 71111092
8-methyl-5H-phenanthridin-6-one
CID 102200304
2,7-dimethylphenanthrene;ethane
CID 91503011
ethane;7-methyl-2-propan-2-yl-3H-quinazolin-4-one
CID 165134582
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
ethane;1,3,6-trimethylnaphthalene
CID 91186069
4-amino-7-methyl-2H-isoquinolin-1-one
CID 84654886
8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one
CID 147940378
methyl 7-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517664

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one?
The IUPAC name of ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one (CID 142195634) is ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one?
The canonical SMILES for ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one is CC.Cc1ccc2c(=O)[nH]c(NN)cc2c1.
What is the InChIKey of ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one?
The InChIKey is JSBOAAGJYMXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C2H6/c1-6-2-3-8-7(4-6)5-9(13-11)12-10(8)14;1-2/h2-5H,11H2,1H3,(H2,12,13,14);1-2H3.
What are the key properties of ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one?
ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one has a molecular weight of 219.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 142195634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).