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

C10H17N7O — CID 62792860

IUPAC5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCCN(CC)CCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C10H17N7O/c1-3-17(4-2)6-5-7-12-9(18-16-7)8-13-10(11)15-14-8/h3-6H2,1-2H3,(H3,11,13,14,15)
InChIKeySMGGVJCDAIZVMM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.32
Rot. Bonds6

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

5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 62792860) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID62792860
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCCN(CC)CCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C10H17N7O/c1-3-17(4-2)6-5-7-12-9(18-16-7)8-13-10(11)15-14-8/h3-6H2,1-2H3,(H3,11,13,14,15)
InChIKeySMGGVJCDAIZVMM-UHFFFAOYSA-N
XLogP0.32
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine 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 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 62792860) is 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is CCN(CC)CCc1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is SMGGVJCDAIZVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-3-17(4-2)6-5-7-12-9(18-16-7)8-13-10(11)15-14-8/h3-6H2,1-2H3,(H3,11,13,14,15).
What are the key properties of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 251.29 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62792860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).