1-methyl-5-propyl-4-(trifluoromethyl)triazole

C7H10F3N3 — CID 69382531

IUPAC1-methyl-5-propyl-4-(trifluoromethyl)triazole
SMILESCCCc1c(C(F)(F)F)nnn1C
InChIInChI=1S/C7H10F3N3/c1-3-4-5-6(7(8,9)10)11-12-13(5)2/h3-4H2,1-2H3
InChIKeyHTSJVHFBKFHPPL-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.79
Rot. Bonds2

About 1-methyl-5-propyl-4-(trifluoromethyl)triazole

1-methyl-5-propyl-4-(trifluoromethyl)triazole (PubChem CID 69382531) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-methyl-5-propyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name1-methyl-5-propyl-4-(trifluoromethyl)triazole
PubChem CID69382531
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-methyl-5-propyl-4-(trifluoromethyl)triazole
SMILESCCCc1c(C(F)(F)F)nnn1C
InChIInChI=1S/C7H10F3N3/c1-3-4-5-6(7(8,9)10)11-12-13(5)2/h3-4H2,1-2H3
InChIKeyHTSJVHFBKFHPPL-UHFFFAOYSA-N
XLogP1.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propyl-4-(trifluoromethyl)triazole?
The IUPAC name of 1-methyl-5-propyl-4-(trifluoromethyl)triazole (CID 69382531) is 1-methyl-5-propyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 1-methyl-5-propyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 1-methyl-5-propyl-4-(trifluoromethyl)triazole is CCCc1c(C(F)(F)F)nnn1C.
What is the InChIKey of 1-methyl-5-propyl-4-(trifluoromethyl)triazole?
The InChIKey is HTSJVHFBKFHPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-3-4-5-6(7(8,9)10)11-12-13(5)2/h3-4H2,1-2H3.
What are the key properties of 1-methyl-5-propyl-4-(trifluoromethyl)triazole?
1-methyl-5-propyl-4-(trifluoromethyl)triazole has a molecular weight of 193.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 69382531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).