5-(trifluoromethyl)-1H-1,2,4-triazole

C3H2F3N3 — CID 18944011

IUPAC5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1ncn[nH]1
InChIInChI=1S/C3H2F3N3/c4-3(5,6)2-7-1-8-9-2/h1H,(H,7,8,9)
InChIKeyKZAQTVQJVOALDK-UHFFFAOYSA-N
MW137.06 g/mol
LogP0.82
Rot. Bonds

About 5-(trifluoromethyl)-1H-1,2,4-triazole

5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 18944011) has the molecular formula C3H2F3N3 and a molecular weight of 137.06 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID18944011
Molecular FormulaC3H2F3N3
Molecular Weight137.06 g/mol
Exact Mass137.02
IUPAC Name5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1ncn[nH]1
InChIInChI=1S/C3H2F3N3/c4-3(5,6)2-7-1-8-9-2/h1H,(H,7,8,9)
InChIKeyKZAQTVQJVOALDK-UHFFFAOYSA-N
XLogP0.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.06
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(trifluoromethyl)-1H-1,2,4-triazole (CID 18944011) is 5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1ncn[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is KZAQTVQJVOALDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3N3/c4-3(5,6)2-7-1-8-9-2/h1H,(H,7,8,9).
What are the key properties of 5-(trifluoromethyl)-1H-1,2,4-triazole?
5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 137.06 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 18944011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).