3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C10H13F3N6 — CID 131931768

IUPAC3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCCc1nc(CCn2cncn2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H13F3N6/c1-2-8-16-9(3-4-18-7-14-6-15-18)19(17-8)5-10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyMJTFTQOTZLTORJ-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.24
Rot. Bonds5

About 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 131931768) has the molecular formula C10H13F3N6 and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID131931768
Molecular FormulaC10H13F3N6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Name3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCCc1nc(CCn2cncn2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H13F3N6/c1-2-8-16-9(3-4-18-7-14-6-15-18)19(17-8)5-10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyMJTFTQOTZLTORJ-UHFFFAOYSA-N
XLogP1.24
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-
CID 638978
3-Methyl-1-pyrrolidin-1-ylmethyl-1h-[1,2,4]triazole
CID 5101574
1-butyl-3-cyclopropyl-5-[3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,4-triazole
CID 72917669
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 58203888
[3-Ethyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381875
[5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69382626
[3-Propyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69382660
[5-Ethyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69383360
[3-Propan-2-yl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69384019
[5-Propyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69384589
[3-Methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 87803426

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 131931768) is 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is CCc1nc(CCn2cncn2)n(CC(F)(F)F)n1.
What is the InChIKey of 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is MJTFTQOTZLTORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6/c1-2-8-16-9(3-4-18-7-14-6-15-18)19(17-8)5-10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 274.25 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 131931768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).