furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C12H14N4O2 — CID 84594381

IUPACfuran-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c17-12(9-4-6-18-7-9)16-5-2-1-3-10(16)11-13-8-14-15-11/h4,6-8,10H,1-3,5H2,(H,13,14,15)
InChIKeyQOKWIPQORQAKEH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.77
Rot. Bonds2

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

furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 84594381) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID84594381
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namefuran-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c17-12(9-4-6-18-7-9)16-5-2-1-3-10(16)11-13-8-14-15-11/h4,6-8,10H,1-3,5H2,(H,13,14,15)
InChIKeyQOKWIPQORQAKEH-UHFFFAOYSA-N
XLogP1.77
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 84594381) is furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCCCC1c1ncn[nH]1.
What is the InChIKey of furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QOKWIPQORQAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(9-4-6-18-7-9)16-5-2-1-3-10(16)11-13-8-14-15-11/h4,6-8,10H,1-3,5H2,(H,13,14,15).
What are the key properties of furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 246.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 84594381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).