[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine

C14H17N3O — CID 105229453

IUPAC[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(c1cccc2cnccc12)C1CCOC1
InChIInChI=1S/C14H17N3O/c15-17-14(11-5-7-18-9-11)13-3-1-2-10-8-16-6-4-12(10)13/h1-4,6,8,11,14,17H,5,7,9,15H2
InChIKeyOVMFSQXZJKNUQM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.78
Rot. Bonds3

About [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine

[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine (PubChem CID 105229453) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine
PubChem CID105229453
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(c1cccc2cnccc12)C1CCOC1
InChIInChI=1S/C14H17N3O/c15-17-14(11-5-7-18-9-11)13-3-1-2-10-8-16-6-4-12(10)13/h1-4,6,8,11,14,17H,5,7,9,15H2
InChIKeyOVMFSQXZJKNUQM-UHFFFAOYSA-N
XLogP1.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.78
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(oxolan-2-yl)methyl]hydrazine
CID 105229147
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
[oxolan-3-yl(quinoxalin-5-yl)methyl]hydrazine
CID 105306587
1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330415
N-[1,4-dioxan-2-yl(isoquinolin-5-yl)methyl]ethanamine
CID 65352590
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
[(2-chloro-3-fluorophenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306562
[1-benzofuran-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105218333
[[2-(difluoromethoxy)phenyl]-(oxolan-3-yl)methyl]hydrazine
CID 105306496
[isoquinolin-8-yl(oxolan-2-yl)methyl]hydrazine
CID 103140218
1,4-dioxan-2-yl(isoquinolin-5-yl)methanol
CID 65350917
1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115852970

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine?
The IUPAC name of [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine (CID 105229453) is [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine is NNC(c1cccc2cnccc12)C1CCOC1.
What is the InChIKey of [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine?
The InChIKey is OVMFSQXZJKNUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-17-14(11-5-7-18-9-11)13-3-1-2-10-8-16-6-4-12(10)13/h1-4,6,8,11,14,17H,5,7,9,15H2.
What are the key properties of [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine?
[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine has a molecular weight of 243.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105229453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).