(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol

C13H11N3OS — CID 105102746

IUPAC(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H11N3OS/c17-13(10-6-7-18-9-10)12-8-14-16(15-12)11-4-2-1-3-5-11/h1-9,13,17H
InChIKeyNINYFYFUZYWZGG-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.41
Rot. Bonds3

About (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol

(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol (PubChem CID 105102746) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol
PubChem CID105102746
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H11N3OS/c17-13(10-6-7-18-9-10)12-8-14-16(15-12)11-4-2-1-3-5-11/h1-9,13,17H
InChIKeyNINYFYFUZYWZGG-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol (CID 105102746) is (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol is OC(c1ccsc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol?
The InChIKey is NINYFYFUZYWZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-13(10-6-7-18-9-10)12-8-14-16(15-12)11-4-2-1-3-5-11/h1-9,13,17H.
What are the key properties of (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol?
(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol has a molecular weight of 257.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyltriazol-4-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 105102746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).