1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol

C15H15N3OS — CID 105097907

IUPAC1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H15N3OS/c19-15(7-6-12-8-9-20-11-12)14-10-16-18(17-14)13-4-2-1-3-5-13/h1-5,8-11,15,19H,6-7H2
InChIKeyQATSDVDIJHVXTE-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol

1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097907) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105097907
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H15N3OS/c19-15(7-6-12-8-9-20-11-12)14-10-16-18(17-14)13-4-2-1-3-5-13/h1-5,8-11,15,19H,6-7H2
InChIKeyQATSDVDIJHVXTE-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[5-(2H-triazol-4-yl)thiophen-3-yl]phenyl]methanol
CID 144461949
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
2-(1-benzothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494725
3-thiophen-3-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494843
1-benzothiophen-7-yl(2H-triazol-4-yl)methanol
CID 81154209
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372
(2-Phenyltriazol-4-yl)-thiophen-2-ylmethanol
CID 105079990
1-(2-Phenyltriazol-4-yl)-2-thiophen-2-ylethanol
CID 105087185
2-(5-Bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087327
2-(5-Chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087453

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol (CID 105097907) is 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is QATSDVDIJHVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-15(7-6-12-8-9-20-11-12)14-10-16-18(17-14)13-4-2-1-3-5-13/h1-5,8-11,15,19H,6-7H2.
What are the key properties of 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol?
1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 285.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).