1,2,4-trimethyltriazolidine

C5H13N3 — CID 91135338

IUPAC1,2,4-trimethyltriazolidine
SMILESCC1CN(C)N(C)N1
InChIInChI=1S/C5H13N3/c1-5-4-7(2)8(3)6-5/h5-6H,4H2,1-3H3
InChIKeyHUCVSDJCVPRJAU-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.33
Rot. Bonds

About 1,2,4-trimethyltriazolidine

1,2,4-trimethyltriazolidine (PubChem CID 91135338) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1,2,4-trimethyltriazolidine.

Molecular Properties

Compound Name1,2,4-trimethyltriazolidine
PubChem CID91135338
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1,2,4-trimethyltriazolidine
SMILESCC1CN(C)N(C)N1
InChIInChI=1S/C5H13N3/c1-5-4-7(2)8(3)6-5/h5-6H,4H2,1-3H3
InChIKeyHUCVSDJCVPRJAU-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyltriazolidine?
The IUPAC name of 1,2,4-trimethyltriazolidine (CID 91135338) is 1,2,4-trimethyltriazolidine.
What is the SMILES notation for 1,2,4-trimethyltriazolidine?
The canonical SMILES for 1,2,4-trimethyltriazolidine is CC1CN(C)N(C)N1.
What is the InChIKey of 1,2,4-trimethyltriazolidine?
The InChIKey is HUCVSDJCVPRJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-5-4-7(2)8(3)6-5/h5-6H,4H2,1-3H3.
What are the key properties of 1,2,4-trimethyltriazolidine?
1,2,4-trimethyltriazolidine 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 1,2,4-trimethyltriazolidine is sourced from PubChem (CID 91135338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).