1,4,5-trimethyl-1,2,4-triazolidine

C5H13N3 — CID 129043653

IUPAC1,4,5-trimethyl-1,2,4-triazolidine
SMILESCC1N(C)CNN1C
InChIInChI=1S/C5H13N3/c1-5-7(2)4-6-8(5)3/h5-6H,4H2,1-3H3
InChIKeyVPYBMYJATVIZFP-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.33
Rot. Bonds

About 1,4,5-trimethyl-1,2,4-triazolidine

1,4,5-trimethyl-1,2,4-triazolidine (PubChem CID 129043653) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1,4,5-trimethyl-1,2,4-triazolidine.

Molecular Properties

Compound Name1,4,5-trimethyl-1,2,4-triazolidine
PubChem CID129043653
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1,4,5-trimethyl-1,2,4-triazolidine
SMILESCC1N(C)CNN1C
InChIInChI=1S/C5H13N3/c1-5-7(2)4-6-8(5)3/h5-6H,4H2,1-3H3
InChIKeyVPYBMYJATVIZFP-UHFFFAOYSA-N
XLogP-0.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4,5-trimethyl-1,2,4-triazolidine 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 1,4,5-trimethyl-1,2,4-triazolidine?
The IUPAC name of 1,4,5-trimethyl-1,2,4-triazolidine (CID 129043653) is 1,4,5-trimethyl-1,2,4-triazolidine.
What is the SMILES notation for 1,4,5-trimethyl-1,2,4-triazolidine?
The canonical SMILES for 1,4,5-trimethyl-1,2,4-triazolidine is CC1N(C)CNN1C.
What is the InChIKey of 1,4,5-trimethyl-1,2,4-triazolidine?
The InChIKey is VPYBMYJATVIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-5-7(2)4-6-8(5)3/h5-6H,4H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-1,2,4-triazolidine?
1,4,5-trimethyl-1,2,4-triazolidine has a molecular weight of 115.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-1,2,4-triazolidine is sourced from PubChem (CID 129043653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).