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

C16H18N6O — CID 53192293

IUPAC2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1coc(CN2CCC(c3nc(-c4cnccn4)n[nH]3)CC2)c1
InChIInChI=1S/C16H18N6O/c1-2-13(23-9-1)11-22-7-3-12(4-8-22)15-19-16(21-20-15)14-10-17-5-6-18-14/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,19,20,21)
InChIKeyDDDJMESSCFMAFM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.23
Rot. Bonds4

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

2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 53192293) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID53192293
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1coc(CN2CCC(c3nc(-c4cnccn4)n[nH]3)CC2)c1
InChIInChI=1S/C16H18N6O/c1-2-13(23-9-1)11-22-7-3-12(4-8-22)15-19-16(21-20-15)14-10-17-5-6-18-14/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,19,20,21)
InChIKeyDDDJMESSCFMAFM-UHFFFAOYSA-N
XLogP2.23
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine (CID 53192293) is 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine is c1coc(CN2CCC(c3nc(-c4cnccn4)n[nH]3)CC2)c1.
What is the InChIKey of 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is DDDJMESSCFMAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-2-13(23-9-1)11-22-7-3-12(4-8-22)15-19-16(21-20-15)14-10-17-5-6-18-14/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,19,20,21).
What are the key properties of 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 310.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 53192293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).