phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol

C13H11N3OS — CID 55111758

IUPACphenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C13H11N3OS/c17-11(9-5-2-1-3-6-9)13-14-12(15-16-13)10-7-4-8-18-10/h1-8,11,17H,(H,14,15,16)
InChIKeyVVTHQVJVPGKZGW-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.61
Rot. Bonds3

About phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol

phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol (PubChem CID 55111758) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Namephenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol
PubChem CID55111758
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Namephenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C13H11N3OS/c17-11(9-5-2-1-3-6-9)13-14-12(15-16-13)10-7-4-8-18-10/h1-8,11,17H,(H,14,15,16)
InChIKeyVVTHQVJVPGKZGW-UHFFFAOYSA-N
XLogP2.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol (CID 55111758) is phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol is OC(c1ccccc1)c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is VVTHQVJVPGKZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-11(9-5-2-1-3-6-9)13-14-12(15-16-13)10-7-4-8-18-10/h1-8,11,17H,(H,14,15,16).
What are the key properties of phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol?
phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 257.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 55111758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).