2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol

C16H11N3O2 — CID 164601354

IUPAC2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
SMILESOc1c(-c2n[nH]c(-c3ccco3)n2)ccc2ccccc12
InChIInChI=1S/C16H11N3O2/c20-14-11-5-2-1-4-10(11)7-8-12(14)15-17-16(19-18-15)13-6-3-9-21-13/h1-9,20H,(H,17,18,19)
InChIKeyZDFVYIGUBBGURO-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.59
Rot. Bonds2

About 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol

2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol (PubChem CID 164601354) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
PubChem CID164601354
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
SMILESOc1c(-c2n[nH]c(-c3ccco3)n2)ccc2ccccc12
InChIInChI=1S/C16H11N3O2/c20-14-11-5-2-1-4-10(11)7-8-12(14)15-17-16(19-18-15)13-6-3-9-21-13/h1-9,20H,(H,17,18,19)
InChIKeyZDFVYIGUBBGURO-UHFFFAOYSA-N
XLogP3.59
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol (CID 164601354) is 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol is Oc1c(-c2n[nH]c(-c3ccco3)n2)ccc2ccccc12.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol?
The InChIKey is ZDFVYIGUBBGURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-14-11-5-2-1-4-10(11)7-8-12(14)15-17-16(19-18-15)13-6-3-9-21-13/h1-9,20H,(H,17,18,19).
What are the key properties of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol?
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol has a molecular weight of 277.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 164601354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).