6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C7H8F3N3 — CID 162565344

IUPAC6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC1Cc2nnc(C(F)(F)F)n2C1
InChIInChI=1S/C7H8F3N3/c1-4-2-5-11-12-6(7(8,9)10)13(5)3-4/h4H,2-3H2,1H3
InChIKeyGTAGSJDBNHEURX-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.49
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 162565344) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID162565344
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC1Cc2nnc(C(F)(F)F)n2C1
InChIInChI=1S/C7H8F3N3/c1-4-2-5-11-12-6(7(8,9)10)13(5)3-4/h4H,2-3H2,1H3
InChIKeyGTAGSJDBNHEURX-UHFFFAOYSA-N
XLogP1.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 162565344) is 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is CC1Cc2nnc(C(F)(F)F)n2C1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is GTAGSJDBNHEURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-4-2-5-11-12-6(7(8,9)10)13(5)3-4/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 191.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 162565344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).