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

C15H15N3OS — CID 82199144

IUPAC[1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2Cc2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-4-6-12(7-5-11)18-15(14(10-19)16-17-18)9-13-3-2-8-20-13/h2-8,19H,9-10H2,1H3
InChIKeyPBQDBVBWCIZOHF-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.72
Rot. Bonds4

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

[1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82199144) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82199144
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2Cc2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-4-6-12(7-5-11)18-15(14(10-19)16-17-18)9-13-3-2-8-20-13/h2-8,19H,9-10H2,1H3
InChIKeyPBQDBVBWCIZOHF-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82199144) is [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is Cc1ccc(-n2nnc(CO)c2Cc2cccs2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is PBQDBVBWCIZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-4-6-12(7-5-11)18-15(14(10-19)16-17-18)9-13-3-2-8-20-13/h2-8,19H,9-10H2,1H3.
What are the key properties of [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82199144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).