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

C4H11N3 — CID 5231545

IUPAC3,5-dimethyl-1,2,4-triazolidine
SMILESCC1NNC(C)N1
InChIInChI=1S/C4H11N3/c1-3-5-4(2)7-6-3/h3-7H,1-2H3
InChIKeyNZJCGBDCEKHAJX-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.62
Rot. Bonds

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

3,5-dimethyl-1,2,4-triazolidine (PubChem CID 5231545) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-triazolidine.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-triazolidine
PubChem CID5231545
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name3,5-dimethyl-1,2,4-triazolidine
SMILESCC1NNC(C)N1
InChIInChI=1S/C4H11N3/c1-3-5-4(2)7-6-3/h3-7H,1-2H3
InChIKeyNZJCGBDCEKHAJX-UHFFFAOYSA-N
XLogP-0.62
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(trifluoromethyl)-1,2,4-triazolidine
CID 170905594
4-Ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate
CID 18341829
1,3,4,5-Tetramethyl-1,2,4-triazolidine
CID 18723723
1-Pyrazolidin-1-ylpropan-1-amine
CID 19604031
1,1-Dimethyl-2-pyrrolidin-2-ylhydrazine
CID 53673698
3-Methyl-1,2,4-triazolidine
CID 57596564
3,3-Dimethyl-1,2,4-triazolidine
CID 57946201
Methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide
CID 58738734
4-Amino-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate
CID 58738766
4-Ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate
CID 58738800
5-Methyl-1,2,4-triazolidine-3-thiol
CID 59938517
1-Pyrazolidin-1-ylethanamine
CID 67244967

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-triazolidine?
The IUPAC name of 3,5-dimethyl-1,2,4-triazolidine (CID 5231545) is 3,5-dimethyl-1,2,4-triazolidine.
What is the SMILES notation for 3,5-dimethyl-1,2,4-triazolidine?
The canonical SMILES for 3,5-dimethyl-1,2,4-triazolidine is CC1NNC(C)N1.
What is the InChIKey of 3,5-dimethyl-1,2,4-triazolidine?
The InChIKey is NZJCGBDCEKHAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-3-5-4(2)7-6-3/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-triazolidine?
3,5-dimethyl-1,2,4-triazolidine has a molecular weight of 101.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-triazolidine is sourced from PubChem (CID 5231545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).