4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol

C16H15N3OS — CID 115945406

IUPAC4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol
SMILESNNc1ccc(CSc2ccc(O)c3ccccc23)cn1
InChIInChI=1S/C16H15N3OS/c17-19-16-8-5-11(9-18-16)10-21-15-7-6-14(20)12-3-1-2-4-13(12)15/h1-9,20H,10,17H2,(H,18,19)
InChIKeyAHHCVSMOVFNCPW-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.52
Rot. Bonds4

About 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol

4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol (PubChem CID 115945406) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol
PubChem CID115945406
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol
SMILESNNc1ccc(CSc2ccc(O)c3ccccc23)cn1
InChIInChI=1S/C16H15N3OS/c17-19-16-8-5-11(9-18-16)10-21-15-7-6-14(20)12-3-1-2-4-13(12)15/h1-9,20H,10,17H2,(H,18,19)
InChIKeyAHHCVSMOVFNCPW-UHFFFAOYSA-N
XLogP3.52
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol (CID 115945406) is 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol is NNc1ccc(CSc2ccc(O)c3ccccc23)cn1.
What is the InChIKey of 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is AHHCVSMOVFNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-19-16-8-5-11(9-18-16)10-21-15-7-6-14(20)12-3-1-2-4-13(12)15/h1-9,20H,10,17H2,(H,18,19).
What are the key properties of 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol?
4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 297.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 115945406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).