5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one

C21H20N4O2 — CID 71793657

IUPAC5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one
SMILESO=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)N1CCc2ccccc21
InChIInChI=1S/C21H20N4O2/c26-19(23-13-12-15-6-4-5-9-18(15)23)14-24-21(27)25(17-7-2-1-3-8-17)20(22-24)16-10-11-16/h1-9,16H,10-14H2
InChIKeyPWVSQRRHMMZXHG-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.50
Rot. Bonds4

About 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one

5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one (PubChem CID 71793657) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one
PubChem CID71793657
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one
SMILESO=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)N1CCc2ccccc21
InChIInChI=1S/C21H20N4O2/c26-19(23-13-12-15-6-4-5-9-18(15)23)14-24-21(27)25(17-7-2-1-3-8-17)20(22-24)16-10-11-16/h1-9,16H,10-14H2
InChIKeyPWVSQRRHMMZXHG-UHFFFAOYSA-N
XLogP2.50
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one (CID 71793657) is 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one is O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)N1CCc2ccccc21.
What is the InChIKey of 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one?
The InChIKey is PWVSQRRHMMZXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-19(23-13-12-15-6-4-5-9-18(15)23)14-24-21(27)25(17-7-2-1-3-8-17)20(22-24)16-10-11-16/h1-9,16H,10-14H2.
What are the key properties of 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one?
5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one has a molecular weight of 360.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 71793657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).