1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid

C13H11N5O3 — CID 114388755

IUPAC1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Nc2nccnn2)c2ccccc21
InChIInChI=1S/C13H11N5O3/c19-11(20)9-7-18(10-4-2-1-3-8(9)10)13(21)16-12-14-5-6-15-17-12/h1-6,9H,7H2,(H,19,20)(H,14,16,17,21)
InChIKeyFRYYIJAMHZGUIF-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.09
Rot. Bonds2

About 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid

1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 114388755) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID114388755
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Nc2nccnn2)c2ccccc21
InChIInChI=1S/C13H11N5O3/c19-11(20)9-7-18(10-4-2-1-3-8(9)10)13(21)16-12-14-5-6-15-17-12/h1-6,9H,7H2,(H,19,20)(H,14,16,17,21)
InChIKeyFRYYIJAMHZGUIF-UHFFFAOYSA-N
XLogP1.09
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid (CID 114388755) is 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)Nc2nccnn2)c2ccccc21.
What is the InChIKey of 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is FRYYIJAMHZGUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c19-11(20)9-7-18(10-4-2-1-3-8(9)10)13(21)16-12-14-5-6-15-17-12/h1-6,9H,7H2,(H,19,20)(H,14,16,17,21).
What are the key properties of 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 114388755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).