2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide

C11H14N4O2 — CID 106282190

IUPAC2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
SMILESCCc1occc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H14N4O2/c1-3-9-8(4-5-17-9)11(16)14-7(2)10-12-6-13-15-10/h4-7H,3H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyFPBFYPKPDZXQCS-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.45
Rot. Bonds4

About 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide

2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide (PubChem CID 106282190) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
PubChem CID106282190
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
SMILESCCc1occc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H14N4O2/c1-3-9-8(4-5-17-9)11(16)14-7(2)10-12-6-13-15-10/h4-7H,3H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyFPBFYPKPDZXQCS-UHFFFAOYSA-N
XLogP1.45
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide
CID 106228530
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283670

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide (CID 106282190) is 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide is CCc1occc1C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
The InChIKey is FPBFYPKPDZXQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-9-8(4-5-17-9)11(16)14-7(2)10-12-6-13-15-10/h4-7H,3H2,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide?
2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106282190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).