3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole

C7H10F3N3 — CID 91362534

IUPAC3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCCc1nnc(C(F)(F)F)n1CC
InChIInChI=1S/C7H10F3N3/c1-3-5-11-12-6(7(8,9)10)13(5)4-2/h3-4H2,1-2H3
InChIKeyXQNLQVFVCXNQAB-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.88
Rot. Bonds2

About 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole

3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 91362534) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID91362534
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCCc1nnc(C(F)(F)F)n1CC
InChIInChI=1S/C7H10F3N3/c1-3-5-11-12-6(7(8,9)10)13(5)4-2/h3-4H2,1-2H3
InChIKeyXQNLQVFVCXNQAB-UHFFFAOYSA-N
XLogP1.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
4-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811613
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyridine
CID 91083566
3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
3-(dimethyl-4H-1,2,4-triazol-3-yl)propan-1-amine
CID 61353394
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
3,3,3-trifluoro-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 129623993
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
2,5-Dimethyl-3-(trifluoromethyl)-2H-1,2,4-triazole
CID 15439063

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole (CID 91362534) is 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole is CCc1nnc(C(F)(F)F)n1CC.
What is the InChIKey of 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is XQNLQVFVCXNQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-3-5-11-12-6(7(8,9)10)13(5)4-2/h3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole?
3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 193.17 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 91362534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).