[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine

C17H17N3S — CID 105303091

IUPAC[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccc(C(NN)c2cccc3cnccc23)cc1
InChIInChI=1S/C17H17N3S/c1-21-14-7-5-12(6-8-14)17(20-18)16-4-2-3-13-11-19-10-9-15(13)16/h2-11,17,20H,18H2,1H3
InChIKeyLNIRZLOOCOPJGD-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.51
Rot. Bonds4

About [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine

[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine (PubChem CID 105303091) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
PubChem CID105303091
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccc(C(NN)c2cccc3cnccc23)cc1
InChIInChI=1S/C17H17N3S/c1-21-14-7-5-12(6-8-14)17(20-18)16-4-2-3-13-11-19-10-9-15(13)16/h2-11,17,20H,18H2,1H3
InChIKeyLNIRZLOOCOPJGD-UHFFFAOYSA-N
XLogP3.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.51
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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Related Compounds

[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
[1-benzothiophen-7-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105327731
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine
CID 105228188

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
The IUPAC name of [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine (CID 105303091) is [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine is CSc1ccc(C(NN)c2cccc3cnccc23)cc1.
What is the InChIKey of [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
The InChIKey is LNIRZLOOCOPJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-21-14-7-5-12(6-8-14)17(20-18)16-4-2-3-13-11-19-10-9-15(13)16/h2-11,17,20H,18H2,1H3.
What are the key properties of [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine has a molecular weight of 295.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine is sourced from PubChem (CID 105303091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).