[1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C14H13N3OS — CID 82200180

IUPAC[1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1Cc1cccs1
InChIInChI=1S/C14H13N3OS/c18-10-13-14(9-12-7-4-8-19-12)17(16-15-13)11-5-2-1-3-6-11/h1-8,18H,9-10H2
InChIKeyCDPDFKQBKDWSMS-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.41
Rot. Bonds4

About [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82200180) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82200180
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1Cc1cccs1
InChIInChI=1S/C14H13N3OS/c18-10-13-14(9-12-7-4-8-19-12)17(16-15-13)11-5-2-1-3-6-11/h1-8,18H,9-10H2
InChIKeyCDPDFKQBKDWSMS-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82200180) is [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is OCc1nnn(-c2ccccc2)c1Cc1cccs1.
What is the InChIKey of [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is CDPDFKQBKDWSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-10-13-14(9-12-7-4-8-19-12)17(16-15-13)11-5-2-1-3-6-11/h1-8,18H,9-10H2.
What are the key properties of [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 271.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82200180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).