(4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine

C10H13N3O — CID 21452567

IUPAC(4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine
SMILESCOC1CN=C(NN)c2ccccc21
InChIInChI=1S/C10H13N3O/c1-14-9-6-12-10(13-11)8-5-3-2-4-7(8)9/h2-5,9H,6,11H2,1H3,(H,12,13)
InChIKeySISHZFXNCCVQMR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.60
Rot. Bonds1

About (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine

(4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine (PubChem CID 21452567) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine.

Molecular Properties

Compound Name(4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine
PubChem CID21452567
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine
SMILESCOC1CN=C(NN)c2ccccc21
InChIInChI=1S/C10H13N3O/c1-14-9-6-12-10(13-11)8-5-3-2-4-7(8)9/h2-5,9H,6,11H2,1H3,(H,12,13)
InChIKeySISHZFXNCCVQMR-UHFFFAOYSA-N
XLogP0.60
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine?
The IUPAC name of (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine (CID 21452567) is (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine.
What is the SMILES notation for (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine?
The canonical SMILES for (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine is COC1CN=C(NN)c2ccccc21.
What is the InChIKey of (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine?
The InChIKey is SISHZFXNCCVQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-14-9-6-12-10(13-11)8-5-3-2-4-7(8)9/h2-5,9H,6,11H2,1H3,(H,12,13).
What are the key properties of (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine?
(4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine has a molecular weight of 191.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,4-dihydroisoquinolin-1-yl)hydrazine is sourced from PubChem (CID 21452567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).