5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine

C12H13N5O — CID 10377118

IUPAC5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
SMILESNCCc1c[nH]c2ccc(-c3nc(N)no3)cc12
InChIInChI=1S/C12H13N5O/c13-4-3-8-6-15-10-2-1-7(5-9(8)10)11-16-12(14)17-18-11/h1-2,5-6,15H,3-4,13H2,(H2,14,17)
InChIKeyAZPGZTOVCHWLMC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.30
Rot. Bonds3

About 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine

5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 10377118) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
PubChem CID10377118
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
SMILESNCCc1c[nH]c2ccc(-c3nc(N)no3)cc12
InChIInChI=1S/C12H13N5O/c13-4-3-8-6-15-10-2-1-7(5-9(8)10)11-16-12(14)17-18-11/h1-2,5-6,15H,3-4,13H2,(H2,14,17)
InChIKeyAZPGZTOVCHWLMC-UHFFFAOYSA-N
XLogP1.30
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine (CID 10377118) is 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine is NCCc1c[nH]c2ccc(-c3nc(N)no3)cc12.
What is the InChIKey of 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is AZPGZTOVCHWLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-4-3-8-6-15-10-2-1-7(5-9(8)10)11-16-12(14)17-18-11/h1-2,5-6,15H,3-4,13H2,(H2,14,17).
What are the key properties of 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 243.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 10377118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).