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

C7H8F3N3 — CID 144898582

IUPAC5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCn1nc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C7H8F3N3/c1-13-5(4-2-3-4)11-6(12-13)7(8,9)10/h4H,2-3H2,1H3
InChIKeyNITNHWGZWANKCY-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.71
Rot. Bonds1

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

5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 144898582) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID144898582
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCn1nc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C7H8F3N3/c1-13-5(4-2-3-4)11-6(12-13)7(8,9)10/h4H,2-3H2,1H3
InChIKeyNITNHWGZWANKCY-UHFFFAOYSA-N
XLogP1.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 12774391
5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole
CID 84665686
5-cyclopropyl-1-methyl-3-nitro-1,2,4-triazole
CID 167529750
[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 83875298
(NE)-N-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methylidene]hydroxylamine
CID 172640558
ethane;1-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 162440075
potassium 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxylate
CID 171326004
5-(hydroxyamino)-1-methyl-3-(trifluoromethyl)-1,2,4-triazin-6-one
CID 11974987
[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 82473927
5-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole
CID 150394513
2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709293
5-cyclopropyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 61337129

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (CID 144898582) is 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is Cn1nc(C(F)(F)F)nc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is NITNHWGZWANKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-13-5(4-2-3-4)11-6(12-13)7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 191.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 144898582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).