furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone

C14H11N3O3 — CID 135058840

IUPACfuran-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone
SMILESCOc1ccc(-c2n[nH]nc2C(=O)c2ccco2)cc1
InChIInChI=1S/C14H11N3O3/c1-19-10-6-4-9(5-7-10)12-13(16-17-15-12)14(18)11-3-2-8-20-11/h2-8H,1H3,(H,15,16,17)
InChIKeyCUDKVEPZFKGDFM-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.30
Rot. Bonds4

About furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone

furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone (PubChem CID 135058840) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone
PubChem CID135058840
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namefuran-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone
SMILESCOc1ccc(-c2n[nH]nc2C(=O)c2ccco2)cc1
InChIInChI=1S/C14H11N3O3/c1-19-10-6-4-9(5-7-10)12-13(16-17-15-12)14(18)11-3-2-8-20-11/h2-8H,1H3,(H,15,16,17)
InChIKeyCUDKVEPZFKGDFM-UHFFFAOYSA-N
XLogP2.30
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone?
The IUPAC name of furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone (CID 135058840) is furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone?
The canonical SMILES for furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone is COc1ccc(-c2n[nH]nc2C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone?
The InChIKey is CUDKVEPZFKGDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-19-10-6-4-9(5-7-10)12-13(16-17-15-12)14(18)11-3-2-8-20-11/h2-8H,1H3,(H,15,16,17).
What are the key properties of furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone?
furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone has a molecular weight of 269.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-(4-methoxyphenyl)-2H-triazol-4-yl]methanone is sourced from PubChem (CID 135058840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).