2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol

C11H13N3OSe — CID 102311790

IUPAC2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(C[Se]c2ccccc2)nn1
InChIInChI=1S/C11H13N3OSe/c15-7-6-10-8-14(13-12-10)9-16-11-4-2-1-3-5-11/h1-5,8,15H,6-7,9H2
InChIKeyIXSOEASEBPPHOY-UHFFFAOYSA-N
MW282.20 g/mol
LogP-0.20
Rot. Bonds5

About 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol

2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol (PubChem CID 102311790) has the molecular formula C11H13N3OSe and a molecular weight of 282.20 g/mol. Its IUPAC name is 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol
PubChem CID102311790
Molecular FormulaC11H13N3OSe
Molecular Weight282.20 g/mol
Exact Mass283.02
IUPAC Name2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(C[Se]c2ccccc2)nn1
InChIInChI=1S/C11H13N3OSe/c15-7-6-10-8-14(13-12-10)9-16-11-4-2-1-3-5-11/h1-5,8,15H,6-7,9H2
InChIKeyIXSOEASEBPPHOY-UHFFFAOYSA-N
XLogP-0.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol (CID 102311790) is 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol is OCCc1cn(C[Se]c2ccccc2)nn1.
What is the InChIKey of 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol?
The InChIKey is IXSOEASEBPPHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OSe/c15-7-6-10-8-14(13-12-10)9-16-11-4-2-1-3-5-11/h1-5,8,15H,6-7,9H2.
What are the key properties of 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol?
2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol has a molecular weight of 282.20 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(phenylselanylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 102311790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).