3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

C7H10F3N3 — CID 61337910

IUPAC3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3/c1-2-3-5-11-6(13-12-5)4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyRSDKZIGGQUTOGL-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.86
Rot. Bonds3

About 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (PubChem CID 61337910) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
PubChem CID61337910
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3/c1-2-3-5-11-6(13-12-5)4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyRSDKZIGGQUTOGL-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (CID 61337910) is 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is CCCc1n[nH]c(CC(F)(F)F)n1.
What is the InChIKey of 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The InChIKey is RSDKZIGGQUTOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-2-3-5-11-6(13-12-5)4-7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole has a molecular weight of 193.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).