2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

C15H13N3O2 — CID 2953442

IUPAC2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1ccc(C=Cc2nc(-c3ccccc3O)n[nH]2)o1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-11(20-10)8-9-14-16-15(18-17-14)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,16,17,18)
InChIKeyDYKFLQIXIIVTMA-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.25
Rot. Bonds3

About 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 2953442) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID2953442
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1ccc(C=Cc2nc(-c3ccccc3O)n[nH]2)o1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-11(20-10)8-9-14-16-15(18-17-14)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,16,17,18)
InChIKeyDYKFLQIXIIVTMA-UHFFFAOYSA-N
XLogP3.25
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (CID 2953442) is 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is Cc1ccc(C=Cc2nc(-c3ccccc3O)n[nH]2)o1.
What is the InChIKey of 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is DYKFLQIXIIVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-7-11(20-10)8-9-14-16-15(18-17-14)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 2953442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).