1,5-dimethyl-1,2,4-triazolidine

C4H11N3 — CID 118026873

IUPAC1,5-dimethyl-1,2,4-triazolidine
SMILESCC1NCNN1C
InChIInChI=1S/C4H11N3/c1-4-5-3-6-7(4)2/h4-6H,3H2,1-2H3
InChIKeySLBUVSILUWAYRY-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.67
Rot. Bonds

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

1,5-dimethyl-1,2,4-triazolidine (PubChem CID 118026873) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 1,5-dimethyl-1,2,4-triazolidine.

Molecular Properties

Compound Name1,5-dimethyl-1,2,4-triazolidine
PubChem CID118026873
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name1,5-dimethyl-1,2,4-triazolidine
SMILESCC1NCNN1C
InChIInChI=1S/C4H11N3/c1-4-5-3-6-7(4)2/h4-6H,3H2,1-2H3
InChIKeySLBUVSILUWAYRY-UHFFFAOYSA-N
XLogP-0.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,2,4-triazolidine?
The IUPAC name of 1,5-dimethyl-1,2,4-triazolidine (CID 118026873) is 1,5-dimethyl-1,2,4-triazolidine.
What is the SMILES notation for 1,5-dimethyl-1,2,4-triazolidine?
The canonical SMILES for 1,5-dimethyl-1,2,4-triazolidine is CC1NCNN1C.
What is the InChIKey of 1,5-dimethyl-1,2,4-triazolidine?
The InChIKey is SLBUVSILUWAYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-4-5-3-6-7(4)2/h4-6H,3H2,1-2H3.
What are the key properties of 1,5-dimethyl-1,2,4-triazolidine?
1,5-dimethyl-1,2,4-triazolidine has a molecular weight of 101.15 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,2,4-triazolidine is sourced from PubChem (CID 118026873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).