2-(4-perylen-3-yltriazol-1-yl)ethanol

C24H17N3O — CID 142771128

IUPAC2-(4-perylen-3-yltriazol-1-yl)ethanol
SMILESOCCn1cc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)nn1
InChIInChI=1S/C24H17N3O/c28-13-12-27-14-22(25-26-27)16-10-11-21-19-7-2-5-15-4-1-6-18(23(15)19)20-9-3-8-17(16)24(20)21/h1-11,14,28H,12-13H2
InChIKeyVTDNMNPQVIBUDQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.99
Rot. Bonds3

About 2-(4-perylen-3-yltriazol-1-yl)ethanol

2-(4-perylen-3-yltriazol-1-yl)ethanol (PubChem CID 142771128) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-perylen-3-yltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-perylen-3-yltriazol-1-yl)ethanol
PubChem CID142771128
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name2-(4-perylen-3-yltriazol-1-yl)ethanol
SMILESOCCn1cc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)nn1
InChIInChI=1S/C24H17N3O/c28-13-12-27-14-22(25-26-27)16-10-11-21-19-7-2-5-15-4-1-6-18(23(15)19)20-9-3-8-17(16)24(20)21/h1-11,14,28H,12-13H2
InChIKeyVTDNMNPQVIBUDQ-UHFFFAOYSA-N
XLogP4.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-perylen-3-yltriazol-1-yl)ethanol 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 2-(4-perylen-3-yltriazol-1-yl)ethanol?
The IUPAC name of 2-(4-perylen-3-yltriazol-1-yl)ethanol (CID 142771128) is 2-(4-perylen-3-yltriazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-perylen-3-yltriazol-1-yl)ethanol?
The canonical SMILES for 2-(4-perylen-3-yltriazol-1-yl)ethanol is OCCn1cc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)nn1.
What is the InChIKey of 2-(4-perylen-3-yltriazol-1-yl)ethanol?
The InChIKey is VTDNMNPQVIBUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c28-13-12-27-14-22(25-26-27)16-10-11-21-19-7-2-5-15-4-1-6-18(23(15)19)20-9-3-8-17(16)24(20)21/h1-11,14,28H,12-13H2.
What are the key properties of 2-(4-perylen-3-yltriazol-1-yl)ethanol?
2-(4-perylen-3-yltriazol-1-yl)ethanol has a molecular weight of 363.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-perylen-3-yltriazol-1-yl)ethanol is sourced from PubChem (CID 142771128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).