4-butyl-1-(trifluoromethyl)triazole

C7H10F3N3 — CID 138629088

IUPAC4-butyl-1-(trifluoromethyl)triazole
SMILESCCCCc1cn(C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3/c1-2-3-4-6-5-13(12-11-6)7(8,9)10/h5H,2-4H2,1H3
InChIKeyGMIJMYIMBIFNJK-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.10
Rot. Bonds3

About 4-butyl-1-(trifluoromethyl)triazole

4-butyl-1-(trifluoromethyl)triazole (PubChem CID 138629088) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-butyl-1-(trifluoromethyl)triazole.

Molecular Properties

Compound Name4-butyl-1-(trifluoromethyl)triazole
PubChem CID138629088
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name4-butyl-1-(trifluoromethyl)triazole
SMILESCCCCc1cn(C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3/c1-2-3-4-6-5-13(12-11-6)7(8,9)10/h5H,2-4H2,1H3
InChIKeyGMIJMYIMBIFNJK-UHFFFAOYSA-N
XLogP2.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4-Dodecyl-1-ethyltriazole
CID 177693236
4-Dodecyl-1-propyltriazole
CID 177693238
1,3-Dimethyl-4-butyltriazolium triflate
CID 134716272
4-Butyl-1-(1,1,2,3,3,3-hexafluoropropyl)triazole
CID 134909816
5-Butyl-1-(1,1,2,3,3,3-hexafluoropropyl)triazole
CID 134909817
4-[(1R)-1,2,2,3,3,4,4,5,5,6,6,6-dodecafluorohexyl]-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)triazole
CID 139147986
1,4-Di(n-butyl)-1,2,3-triazole
CID 18994978
1,4-Diethyltriazole
CID 19779068
3,5-Dipentyl triazole
CID 23269501
4-Ethyl-1-methyltriazole
CID 59050128
4-Pentyl-1-prop-2-enyltriazole
CID 66927678

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(trifluoromethyl)triazole?
The IUPAC name of 4-butyl-1-(trifluoromethyl)triazole (CID 138629088) is 4-butyl-1-(trifluoromethyl)triazole.
What is the SMILES notation for 4-butyl-1-(trifluoromethyl)triazole?
The canonical SMILES for 4-butyl-1-(trifluoromethyl)triazole is CCCCc1cn(C(F)(F)F)nn1.
What is the InChIKey of 4-butyl-1-(trifluoromethyl)triazole?
The InChIKey is GMIJMYIMBIFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-2-3-4-6-5-13(12-11-6)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 4-butyl-1-(trifluoromethyl)triazole?
4-butyl-1-(trifluoromethyl)triazole has a molecular weight of 193.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(trifluoromethyl)triazole is sourced from PubChem (CID 138629088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).