(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one

C10H6BrN5O — CID 135703568

IUPAC(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/n1cnnc1
InChIInChI=1S/C10H6BrN5O/c11-6-1-2-8-7(3-6)9(10(17)14-8)15-16-4-12-13-5-16/h1-5H,(H,14,15,17)
InChIKeyFUYVDOXVEZAPHU-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.25
Rot. Bonds1

About (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one

(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one (PubChem CID 135703568) has the molecular formula C10H6BrN5O and a molecular weight of 292.10 g/mol. Its IUPAC name is (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one
PubChem CID135703568
Molecular FormulaC10H6BrN5O
Molecular Weight292.10 g/mol
Exact Mass290.98
IUPAC Name(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/n1cnnc1
InChIInChI=1S/C10H6BrN5O/c11-6-1-2-8-7(3-6)9(10(17)14-8)15-16-4-12-13-5-16/h1-5H,(H,14,15,17)
InChIKeyFUYVDOXVEZAPHU-UHFFFAOYSA-N
XLogP1.25
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one (CID 135703568) is (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N/n1cnnc1.
What is the InChIKey of (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one?
The InChIKey is FUYVDOXVEZAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5O/c11-6-1-2-8-7(3-6)9(10(17)14-8)15-16-4-12-13-5-16/h1-5H,(H,14,15,17).
What are the key properties of (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one?
(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one has a molecular weight of 292.10 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one is sourced from PubChem (CID 135703568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).