[1-(phenylselanylmethyl)triazol-4-yl]methanol

C10H11N3OSe — CID 102311788

IUPAC[1-(phenylselanylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(C[Se]c2ccccc2)nn1
InChIInChI=1S/C10H11N3OSe/c14-7-9-6-13(12-11-9)8-15-10-4-2-1-3-5-10/h1-6,14H,7-8H2
InChIKeyZDGXZGILDLDGRK-UHFFFAOYSA-N
MW268.18 g/mol
LogP-0.24
Rot. Bonds4

About [1-(phenylselanylmethyl)triazol-4-yl]methanol

[1-(phenylselanylmethyl)triazol-4-yl]methanol (PubChem CID 102311788) has the molecular formula C10H11N3OSe and a molecular weight of 268.18 g/mol. Its IUPAC name is [1-(phenylselanylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(phenylselanylmethyl)triazol-4-yl]methanol
PubChem CID102311788
Molecular FormulaC10H11N3OSe
Molecular Weight268.18 g/mol
Exact Mass269.01
IUPAC Name[1-(phenylselanylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(C[Se]c2ccccc2)nn1
InChIInChI=1S/C10H11N3OSe/c14-7-9-6-13(12-11-9)8-15-10-4-2-1-3-5-10/h1-6,14H,7-8H2
InChIKeyZDGXZGILDLDGRK-UHFFFAOYSA-N
XLogP-0.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 5-0.24
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 [1-(phenylselanylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(phenylselanylmethyl)triazol-4-yl]methanol (CID 102311788) is [1-(phenylselanylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(phenylselanylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(phenylselanylmethyl)triazol-4-yl]methanol is OCc1cn(C[Se]c2ccccc2)nn1.
What is the InChIKey of [1-(phenylselanylmethyl)triazol-4-yl]methanol?
The InChIKey is ZDGXZGILDLDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OSe/c14-7-9-6-13(12-11-9)8-15-10-4-2-1-3-5-10/h1-6,14H,7-8H2.
What are the key properties of [1-(phenylselanylmethyl)triazol-4-yl]methanol?
[1-(phenylselanylmethyl)triazol-4-yl]methanol has a molecular weight of 268.18 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(phenylselanylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 102311788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).