5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C13H14ClN5O — CID 79349354

IUPAC5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(-n3nc(C)nc3C)c(Cl)cc21
InChIInChI=1S/C13H14ClN5O/c1-6-16-7(2)19(18-6)11-5-10-8(4-9(11)14)12(15-3)13(20)17-10/h4-5,12,15H,1-3H3,(H,17,20)
InChIKeyFINHDKLWBKNRLI-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.75
Rot. Bonds2

About 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79349354) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79349354
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(-n3nc(C)nc3C)c(Cl)cc21
InChIInChI=1S/C13H14ClN5O/c1-6-16-7(2)19(18-6)11-5-10-8(4-9(11)14)12(15-3)13(20)17-10/h4-5,12,15H,1-3H3,(H,17,20)
InChIKeyFINHDKLWBKNRLI-UHFFFAOYSA-N
XLogP1.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 79349354) is 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(-n3nc(C)nc3C)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is FINHDKLWBKNRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-6-16-7(2)19(18-6)11-5-10-8(4-9(11)14)12(15-3)13(20)17-10/h4-5,12,15H,1-3H3,(H,17,20).
What are the key properties of 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 291.74 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).