5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole

C7H8F3N3 — CID 161182235

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole
SMILESFC(F)(F)C1(Cc2ncn[nH]2)CC1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6(1-2-6)3-5-11-4-12-13-5/h4H,1-3H2,(H,11,12,13)
InChIKeyUSPRFBFAQZOLBX-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.69
Rot. Bonds2

About 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole

5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole (PubChem CID 161182235) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole
PubChem CID161182235
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole
SMILESFC(F)(F)C1(Cc2ncn[nH]2)CC1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6(1-2-6)3-5-11-4-12-13-5/h4H,1-3H2,(H,11,12,13)
InChIKeyUSPRFBFAQZOLBX-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole (CID 161182235) is 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole is FC(F)(F)C1(Cc2ncn[nH]2)CC1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole?
The InChIKey is USPRFBFAQZOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)6(1-2-6)3-5-11-4-12-13-5/h4H,1-3H2,(H,11,12,13).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole?
5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole has a molecular weight of 191.16 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 161182235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).