3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine

C4H8F3N3 — CID 170905594

IUPAC3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine
SMILESCC1NNC(C(F)(F)F)N1
InChIInChI=1S/C4H8F3N3/c1-2-8-3(10-9-2)4(5,6)7/h2-3,8-10H,1H3
InChIKeyFUMXYJDRTCFDRT-UHFFFAOYSA-N
MW155.12 g/mol
LogP-0.08
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine

3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine (PubChem CID 170905594) has the molecular formula C4H8F3N3 and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine
PubChem CID170905594
Molecular FormulaC4H8F3N3
Molecular Weight155.12 g/mol
Exact Mass155.07
IUPAC Name3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine
SMILESCC1NNC(C(F)(F)F)N1
InChIInChI=1S/C4H8F3N3/c1-2-8-3(10-9-2)4(5,6)7/h2-3,8-10H,1H3
InChIKeyFUMXYJDRTCFDRT-UHFFFAOYSA-N
XLogP-0.08
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine (CID 170905594) is 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine is CC1NNC(C(F)(F)F)N1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine?
The InChIKey is FUMXYJDRTCFDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N3/c1-2-8-3(10-9-2)4(5,6)7/h2-3,8-10H,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine?
3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine has a molecular weight of 155.12 g/mol, XLogP of -0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,2,4-triazolidine is sourced from PubChem (CID 170905594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).