(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine

C12H15N3S — CID 105213889

IUPAC(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
SMILESCSCC(NN)c1cncc2ccccc12
InChIInChI=1S/C12H15N3S/c1-16-8-12(15-13)11-7-14-6-9-4-2-3-5-10(9)11/h2-7,12,15H,8,13H2,1H3
InChIKeyQBPJJSCJVNVMQK-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.10
Rot. Bonds4

About (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine

(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine (PubChem CID 105213889) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine.

Molecular Properties

Compound Name(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
PubChem CID105213889
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
SMILESCSCC(NN)c1cncc2ccccc12
InChIInChI=1S/C12H15N3S/c1-16-8-12(15-13)11-7-14-6-9-4-2-3-5-10(9)11/h2-7,12,15H,8,13H2,1H3
InChIKeyQBPJJSCJVNVMQK-UHFFFAOYSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.10
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

(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine
CID 105248975
N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
CID 105244064
2-tert-butylsulfanyl-1-isoquinolin-4-yl-N-methylethanamine
CID 65133000
(2-ethyl-1-isoquinolin-4-ylbutyl)hydrazine
CID 105306338
(1-naphthalen-1-yl-2-propan-2-ylsulfanylethyl)hydrazine
CID 105226218
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
CID 63940368
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine
CID 105228188
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105306448
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine?
The IUPAC name of (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine (CID 105213889) is (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine.
What is the SMILES notation for (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine?
The canonical SMILES for (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine is CSCC(NN)c1cncc2ccccc12.
What is the InChIKey of (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine?
The InChIKey is QBPJJSCJVNVMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-16-8-12(15-13)11-7-14-6-9-4-2-3-5-10(9)11/h2-7,12,15H,8,13H2,1H3.
What are the key properties of (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine?
(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine has a molecular weight of 233.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine is sourced from PubChem (CID 105213889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).