N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide

C15H14N4O2 — CID 86791272

IUPACN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1coc2ccccc12
InChIInChI=1S/C15H14N4O2/c20-14(11-8-21-12-7-2-1-6-10(11)12)17-15-16-13(18-19-15)9-4-3-5-9/h1-2,6-9H,3-5H2,(H2,16,17,18,19,20)
InChIKeyZLNRPSSTKLBIRN-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.07
Rot. Bonds3

About N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 86791272) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
PubChem CID86791272
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1coc2ccccc12
InChIInChI=1S/C15H14N4O2/c20-14(11-8-21-12-7-2-1-6-10(11)12)17-15-16-13(18-19-15)9-4-3-5-9/h1-2,6-9H,3-5H2,(H2,16,17,18,19,20)
InChIKeyZLNRPSSTKLBIRN-UHFFFAOYSA-N
XLogP3.07
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide (CID 86791272) is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide is O=C(Nc1n[nH]c(C2CCC2)n1)c1coc2ccccc12.
What is the InChIKey of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide?
The InChIKey is ZLNRPSSTKLBIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-14(11-8-21-12-7-2-1-6-10(11)12)17-15-16-13(18-19-15)9-4-3-5-9/h1-2,6-9H,3-5H2,(H2,16,17,18,19,20).
What are the key properties of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide?
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 86791272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).