1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole

C8H12F3N3 — CID 156564000

IUPAC1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole
SMILESCCC(CCn1cncn1)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-2-7(8(9,10)11)3-4-14-6-12-5-13-14/h5-7H,2-4H2,1H3
InChIKeyLPQKPTXKUICIGH-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.26
Rot. Bonds4

About 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole

1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole (PubChem CID 156564000) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole
PubChem CID156564000
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole
SMILESCCC(CCn1cncn1)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-2-7(8(9,10)11)3-4-14-6-12-5-13-14/h5-7H,2-4H2,1H3
InChIKeyLPQKPTXKUICIGH-UHFFFAOYSA-N
XLogP2.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
1-[(3R)-3-(4-chlorophenyl)pentyl]-1,2,4-triazole
CID 25170664
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-2-amine
CID 115726756
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
CID 115707201
3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine
CID 115712768
bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
CID 154489904
1-(2-ethylsulfanylethyl)-1,2,4-triazole
CID 115773467
1-(4,4-dimethylpentyl)-1,2,4-triazole
CID 59119249
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole?
The IUPAC name of 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole (CID 156564000) is 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole.
What is the SMILES notation for 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole?
The canonical SMILES for 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole is CCC(CCn1cncn1)C(F)(F)F.
What is the InChIKey of 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole?
The InChIKey is LPQKPTXKUICIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-2-7(8(9,10)11)3-4-14-6-12-5-13-14/h5-7H,2-4H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole?
1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole has a molecular weight of 207.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pentyl]-1,2,4-triazole is sourced from PubChem (CID 156564000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).