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

C8H10F3N3 — CID 71010953

IUPAC3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nnc(C2CC2)n1CC(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-5-12-13-7(6-2-3-6)14(5)4-8(9,10)11/h6H,2-4H2,1H3
InChIKeyIDSNRFRSRRXBFI-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.03
Rot. Bonds2

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

3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 71010953) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID71010953
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nnc(C2CC2)n1CC(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-5-12-13-7(6-2-3-6)14(5)4-8(9,10)11/h6H,2-4H2,1H3
InChIKeyIDSNRFRSRRXBFI-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 71010953) is 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1nnc(C2CC2)n1CC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is IDSNRFRSRRXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5-12-13-7(6-2-3-6)14(5)4-8(9,10)11/h6H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 205.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 71010953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).