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

C7H10F3N3 — CID 169246683

IUPAC3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nnc(C(C)C)n1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(2)6-12-11-5(3)13(6)7(8,9)10/h4H,1-3H3
InChIKeyRZIWWEADEHYDEK-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.19
Rot. Bonds1

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

3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole (PubChem CID 169246683) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
PubChem CID169246683
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nnc(C(C)C)n1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(2)6-12-11-5(3)13(6)7(8,9)10/h4H,1-3H3
InChIKeyRZIWWEADEHYDEK-UHFFFAOYSA-N
XLogP2.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-3-(propan-2-yl)-1H-1,2,4-triazole
CID 61351269
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
3,5-Dimethyl-4-(trifluoromethyl)-1,2,4-triazole
CID 20719698
3-Methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 51397714
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 59370368
3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
3-Tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539572
3-Tert-butyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59539763
3,4-Dimethyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59887060
3-(3-Fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 67234435
3-(2-Fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 67234464

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole (CID 169246683) is 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole is Cc1nnc(C(C)C)n1C(F)(F)F.
What is the InChIKey of 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is RZIWWEADEHYDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(2)6-12-11-5(3)13(6)7(8,9)10/h4H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 193.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 169246683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).