ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole

C7H12F3N3 — CID 145329480

IUPACethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCC.CCc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3.C2H6/c1-2-3-9-4(11-10-3)5(6,7)8;1-2/h2H2,1H3,(H,9,10,11);1-2H3
InChIKeyYGPACQMFZFUADJ-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.41
Rot. Bonds1

About ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole

ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 145329480) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID145329480
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC Nameethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCC.CCc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3.C2H6/c1-2-3-9-4(11-10-3)5(6,7)8;1-2/h2H2,1H3,(H,9,10,11);1-2H3
InChIKeyYGPACQMFZFUADJ-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 16682443
1H-1,2,4-Triazole, 3,5-dimethyl-
CID 139001
3,5-diethyl-1H-1,2,4-triazole
CID 15520387
5-(propan-2-yl)-4H-1,2,4-triazol-3-amine
CID 2756463
3-ethyl-1H-1,2,4-triazol-5-amine
CID 1714204
3-chloro-5-isopropyl-1H-1,2,4-triazole
CID 45492456
3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole
CID 250987
3-chloro-5-ethyl-1H-1,2,4-triazole
CID 49651905
5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 2783212
3-Bromo-5-(propan-2-yl)-1H-1,2,4-triazole
CID 45493723
(5-Methyl-1H-1,2,4-triazol-3-yl)acetonitrile
CID 390144
5-(difluoromethyl)-4H-1,2,4-triazol-3-amine
CID 24702356

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 145329480) is ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole is CC.CCc1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is YGPACQMFZFUADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.C2H6/c1-2-3-9-4(11-10-3)5(6,7)8;1-2/h2H2,1H3,(H,9,10,11);1-2H3.
What are the key properties of ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 195.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 145329480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).