4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide

C11H10N6O — CID 70642283

IUPAC4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\c1ccc2[nH]ccc2c1)c1nonc1N
InChIInChI=1S/C11H10N6O/c12-10(9-11(13)17-18-16-9)15-7-1-2-8-6(5-7)3-4-14-8/h1-5,14H,(H2,12,15)(H2,13,17)
InChIKeyXQDOOFKZTATQHX-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.17
Rot. Bonds2

About 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 70642283) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide
PubChem CID70642283
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\c1ccc2[nH]ccc2c1)c1nonc1N
InChIInChI=1S/C11H10N6O/c12-10(9-11(13)17-18-16-9)15-7-1-2-8-6(5-7)3-4-14-8/h1-5,14H,(H2,12,15)(H2,13,17)
InChIKeyXQDOOFKZTATQHX-UHFFFAOYSA-N
XLogP1.17
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide (CID 70642283) is 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\c1ccc2[nH]ccc2c1)c1nonc1N.
What is the InChIKey of 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is XQDOOFKZTATQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-10(9-11(13)17-18-16-9)15-7-1-2-8-6(5-7)3-4-14-8/h1-5,14H,(H2,12,15)(H2,13,17).
What are the key properties of 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 242.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(1H-indol-5-yl)-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 70642283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).