3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one

C10H9N5O — CID 63369171

IUPAC3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(-n3cncn3)ccc21
InChIInChI=1S/C10H9N5O/c11-9-7-2-1-6(15-5-12-4-13-15)3-8(7)14-10(9)16/h1-5,9H,11H2,(H,14,16)
InChIKeyIJLXEBHUVFUNJZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.22
Rot. Bonds1

About 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one

3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one (PubChem CID 63369171) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one
PubChem CID63369171
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(-n3cncn3)ccc21
InChIInChI=1S/C10H9N5O/c11-9-7-2-1-6(15-5-12-4-13-15)3-8(7)14-10(9)16/h1-5,9H,11H2,(H,14,16)
InChIKeyIJLXEBHUVFUNJZ-UHFFFAOYSA-N
XLogP0.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one (CID 63369171) is 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(-n3cncn3)ccc21.
What is the InChIKey of 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is IJLXEBHUVFUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-9-7-2-1-6(15-5-12-4-13-15)3-8(7)14-10(9)16/h1-5,9H,11H2,(H,14,16).
What are the key properties of 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one?
3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 215.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,2,4-triazol-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).