6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one

C11H10FN5O — CID 114996337

IUPAC6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ncn[nH]1
InChIInChI=1S/C11H10FN5O/c12-6-1-2-7-8(3-6)16-11(18)10(7)13-4-9-14-5-15-17-9/h1-3,5,10,13H,4H2,(H,16,18)(H,14,15,17)
InChIKeyXRKSPRIBARNWCW-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.73
Rot. Bonds3

About 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one

6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 114996337) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID114996337
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ncn[nH]1
InChIInChI=1S/C11H10FN5O/c12-6-1-2-7-8(3-6)16-11(18)10(7)13-4-9-14-5-15-17-9/h1-3,5,10,13H,4H2,(H,16,18)(H,14,15,17)
InChIKeyXRKSPRIBARNWCW-UHFFFAOYSA-N
XLogP0.73
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one (CID 114996337) is 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1NCc1ncn[nH]1.
What is the InChIKey of 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is XRKSPRIBARNWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c12-6-1-2-7-8(3-6)16-11(18)10(7)13-4-9-14-5-15-17-9/h1-3,5,10,13H,4H2,(H,16,18)(H,14,15,17).
What are the key properties of 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 247.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(1H-1,2,4-triazol-5-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114996337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).