2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide

C17H16N4O3 — CID 121117042

IUPAC2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccccc1
InChIInChI=1S/C17H16N4O3/c22-15(18-12-5-2-1-3-6-12)11-20-17(23)21(13-8-9-13)16(19-20)14-7-4-10-24-14/h1-7,10,13H,8-9,11H2,(H,18,22)
InChIKeyDVSVANKAYCZPSD-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide

2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide (PubChem CID 121117042) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide
PubChem CID121117042
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccccc1
InChIInChI=1S/C17H16N4O3/c22-15(18-12-5-2-1-3-6-12)11-20-17(23)21(13-8-9-13)16(19-20)14-7-4-10-24-14/h1-7,10,13H,8-9,11H2,(H,18,22)
InChIKeyDVSVANKAYCZPSD-UHFFFAOYSA-N
XLogP2.28
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide (CID 121117042) is 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide is O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccccc1.
What is the InChIKey of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide?
The InChIKey is DVSVANKAYCZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-15(18-12-5-2-1-3-6-12)11-20-17(23)21(13-8-9-13)16(19-20)14-7-4-10-24-14/h1-7,10,13H,8-9,11H2,(H,18,22).
What are the key properties of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide?
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide has a molecular weight of 324.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 121117042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).