2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol

C10H8Cl3N3O — CID 62401649

IUPAC2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H8Cl3N3O/c11-6-3-8(12)10(9(13)4-6)16-5-7(1-2-17)14-15-16/h3-5,17H,1-2H2
InChIKeyUPCBEZQETDOPKP-UHFFFAOYSA-N
MW292.55 g/mol
LogP2.76
Rot. Bonds3

About 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol

2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol (PubChem CID 62401649) has the molecular formula C10H8Cl3N3O and a molecular weight of 292.55 g/mol. Its IUPAC name is 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
PubChem CID62401649
Molecular FormulaC10H8Cl3N3O
Molecular Weight292.55 g/mol
Exact Mass290.97
IUPAC Name2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H8Cl3N3O/c11-6-3-8(12)10(9(13)4-6)16-5-7(1-2-17)14-15-16/h3-5,17H,1-2H2
InChIKeyUPCBEZQETDOPKP-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol (CID 62401649) is 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol is OCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1.
What is the InChIKey of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
The InChIKey is UPCBEZQETDOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O/c11-6-3-8(12)10(9(13)4-6)16-5-7(1-2-17)14-15-16/h3-5,17H,1-2H2.
What are the key properties of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol has a molecular weight of 292.55 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 62401649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).