[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine

C14H13N3S — CID 105196792

IUPAC[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
SMILESNNC(c1ccsc1)c1cncc2ccccc12
InChIInChI=1S/C14H13N3S/c15-17-14(11-5-6-18-9-11)13-8-16-7-10-3-1-2-4-12(10)13/h1-9,14,17H,15H2
InChIKeyASOOSPNJQIJCHO-UHFFFAOYSA-N
MW255.35 g/mol
LogP2.85
Rot. Bonds3

About [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine

[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine (PubChem CID 105196792) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
PubChem CID105196792
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
SMILESNNC(c1ccsc1)c1cncc2ccccc12
InChIInChI=1S/C14H13N3S/c15-17-14(11-5-6-18-9-11)13-8-16-7-10-3-1-2-4-12(10)13/h1-9,14,17H,15H2
InChIKeyASOOSPNJQIJCHO-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 52.85
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

[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306457
[isoquinolin-4-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756551
[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
CID 103408597
[(2,4-difluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105216594
1-isoquinolin-4-yl-2-thiophen-3-ylethanol
CID 104504569
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306387
[isoquinolin-4-yl-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105306415
[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105280102
[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105196827
[(4-bromo-2-methylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306340
[thiophen-3-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105196682
N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine?
The IUPAC name of [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine (CID 105196792) is [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine is NNC(c1ccsc1)c1cncc2ccccc12.
What is the InChIKey of [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine?
The InChIKey is ASOOSPNJQIJCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-17-14(11-5-6-18-9-11)13-8-16-7-10-3-1-2-4-12(10)13/h1-9,14,17H,15H2.
What are the key properties of [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine?
[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine has a molecular weight of 255.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105196792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).