5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one

C13H14FN5O — CID 43703117

IUPAC5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(F)cc21)c1nncn1C
InChIInChI=1S/C13H14FN5O/c1-7(12-18-15-6-19(12)2)16-11-9-5-8(14)3-4-10(9)17-13(11)20/h3-7,11,16H,1-2H3,(H,17,20)
InChIKeyVZKCHGSFVPSVRD-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.30
Rot. Bonds3

About 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one

5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43703117) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43703117
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(F)cc21)c1nncn1C
InChIInChI=1S/C13H14FN5O/c1-7(12-18-15-6-19(12)2)16-11-9-5-8(14)3-4-10(9)17-13(11)20/h3-7,11,16H,1-2H3,(H,17,20)
InChIKeyVZKCHGSFVPSVRD-UHFFFAOYSA-N
XLogP1.30
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one (CID 43703117) is 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one is CC(NC1C(=O)Nc2ccc(F)cc21)c1nncn1C.
What is the InChIKey of 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is VZKCHGSFVPSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-7(12-18-15-6-19(12)2)16-11-9-5-8(14)3-4-10(9)17-13(11)20/h3-7,11,16H,1-2H3,(H,17,20).
What are the key properties of 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one?
5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 275.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43703117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).