3,5-diethyl-1,2,4-triazolidine

C6H15N3 — CID 68573592

IUPAC3,5-diethyl-1,2,4-triazolidine
SMILESCCC1NNC(CC)N1
InChIInChI=1S/C6H15N3/c1-3-5-7-6(4-2)9-8-5/h5-9H,3-4H2,1-2H3
InChIKeyNGKTUVMCHMOILW-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.16
Rot. Bonds2

About 3,5-diethyl-1,2,4-triazolidine

3,5-diethyl-1,2,4-triazolidine (PubChem CID 68573592) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 3,5-diethyl-1,2,4-triazolidine.

Molecular Properties

Compound Name3,5-diethyl-1,2,4-triazolidine
PubChem CID68573592
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name3,5-diethyl-1,2,4-triazolidine
SMILESCCC1NNC(CC)N1
InChIInChI=1S/C6H15N3/c1-3-5-7-6(4-2)9-8-5/h5-9H,3-4H2,1-2H3
InChIKeyNGKTUVMCHMOILW-UHFFFAOYSA-N
XLogP0.16
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1,2,4-triazolidine?
The IUPAC name of 3,5-diethyl-1,2,4-triazolidine (CID 68573592) is 3,5-diethyl-1,2,4-triazolidine.
What is the SMILES notation for 3,5-diethyl-1,2,4-triazolidine?
The canonical SMILES for 3,5-diethyl-1,2,4-triazolidine is CCC1NNC(CC)N1.
What is the InChIKey of 3,5-diethyl-1,2,4-triazolidine?
The InChIKey is NGKTUVMCHMOILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-3-5-7-6(4-2)9-8-5/h5-9H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-1,2,4-triazolidine?
3,5-diethyl-1,2,4-triazolidine has a molecular weight of 129.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1,2,4-triazolidine is sourced from PubChem (CID 68573592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).