[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine

C14H17N3O — CID 105229147

IUPAC[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine
SMILESNNC(c1cccc2cnccc12)C1CCCO1
InChIInChI=1S/C14H17N3O/c15-17-14(13-5-2-8-18-13)12-4-1-3-10-9-16-7-6-11(10)12/h1,3-4,6-7,9,13-14,17H,2,5,8,15H2
InChIKeyOEABYXZTEHMTLD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.92
Rot. Bonds3

About [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine

[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine (PubChem CID 105229147) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine
PubChem CID105229147
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine
SMILESNNC(c1cccc2cnccc12)C1CCCO1
InChIInChI=1S/C14H17N3O/c15-17-14(13-5-2-8-18-13)12-4-1-3-10-9-16-7-6-11(10)12/h1,3-4,6-7,9,13-14,17H,2,5,8,15H2
InChIKeyOEABYXZTEHMTLD-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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-8-yl(oxolan-2-yl)methyl]hydrazine
CID 103140218
[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine
CID 105229453
[oxolan-2-yl(quinolin-8-yl)methyl]hydrazine
CID 105228946
[oxolan-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105229176
[(3-fluoro-4-pyridinyl)-(oxan-2-yl)methyl]hydrazine
CID 105335357
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
N-[1,4-dioxan-2-yl(isoquinolin-5-yl)methyl]ethanamine
CID 65352590
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
[1,4-dioxan-2-yl(naphthalen-1-yl)methyl]hydrazine
CID 105301200
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine?
The IUPAC name of [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine (CID 105229147) is [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine is NNC(c1cccc2cnccc12)C1CCCO1.
What is the InChIKey of [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine?
The InChIKey is OEABYXZTEHMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-17-14(13-5-2-8-18-13)12-4-1-3-10-9-16-7-6-11(10)12/h1,3-4,6-7,9,13-14,17H,2,5,8,15H2.
What are the key properties of [isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine?
[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine has a molecular weight of 243.31 g/mol, XLogP of 1.92, 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-2-yl)methyl]hydrazine is sourced from PubChem (CID 105229147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).