N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C8H12N6O — CID 62327950

IUPACN-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C8H12N6O/c1-2-9-4-3-6-12-8(14-15-6)7-10-5-11-13-7/h5,9H,2-4H2,1H3,(H,10,11,13)
InChIKeyXYEPWIHGJBJQJL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.01
Rot. Bonds5

About N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine

N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62327950) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62327950
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC NameN-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C8H12N6O/c1-2-9-4-3-6-12-8(14-15-6)7-10-5-11-13-7/h5,9H,2-4H2,1H3,(H,10,11,13)
InChIKeyXYEPWIHGJBJQJL-UHFFFAOYSA-N
XLogP0.01
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 62327950) is N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CCNCCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is XYEPWIHGJBJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-2-9-4-3-6-12-8(14-15-6)7-10-5-11-13-7/h5,9H,2-4H2,1H3,(H,10,11,13).
What are the key properties of N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 208.22 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62327950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).