5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole

C4H4F3N3 — CID 2783212

IUPAC5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C4H4F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3,(H,8,9,10)
InChIKeyZWXAVIBKKKTERN-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.13
Rot. Bonds

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

5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 2783212) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID2783212
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C4H4F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3,(H,8,9,10)
InChIKeyZWXAVIBKKKTERN-UHFFFAOYSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 2783212) is 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole is Cc1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is ZWXAVIBKKKTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3,(H,8,9,10).
What are the key properties of 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 151.09 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 2783212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).