3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole

C9H9ClF3N3 — CID 106215630

IUPAC3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
SMILESFC(F)(F)C1(n2c(Cl)nnc2C2CC2)CC1
InChIInChI=1S/C9H9ClF3N3/c10-7-15-14-6(5-1-2-5)16(7)8(3-4-8)9(11,12)13/h5H,1-4H2
InChIKeyJRKOZXJTGJHBAE-UHFFFAOYSA-N
MW251.64 g/mol
LogP2.86
Rot. Bonds2

About 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole

3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole (PubChem CID 106215630) has the molecular formula C9H9ClF3N3 and a molecular weight of 251.64 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
PubChem CID106215630
Molecular FormulaC9H9ClF3N3
Molecular Weight251.64 g/mol
Exact Mass251.04
IUPAC Name3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
SMILESFC(F)(F)C1(n2c(Cl)nnc2C2CC2)CC1
InChIInChI=1S/C9H9ClF3N3/c10-7-15-14-6(5-1-2-5)16(7)8(3-4-8)9(11,12)13/h5H,1-4H2
InChIKeyJRKOZXJTGJHBAE-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-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

Related Compounds

3-Chloro-4,5-dicyclopropyl-4h-1,2,4-triazole
CID 63384839
3-Cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 71010953
3-Cyclopropyl-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 117905819
3-Chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 63384933
3-Chloro-5-cyclopropyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385163
4-Tert-butyl-3-(chloromethyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole
CID 103311304
3-Chloro-5-cyclopropyl-4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazole
CID 105927934
3-Chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
CID 106215622
3-Chloro-5-propan-2-yl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
CID 106215626
3-Tert-butyl-5-chloro-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
CID 106215628
3-Chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
CID 106215632
3-Chloro-5-propyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
CID 106215633

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole (CID 106215630) is 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole is FC(F)(F)C1(n2c(Cl)nnc2C2CC2)CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The InChIKey is JRKOZXJTGJHBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3/c10-7-15-14-6(5-1-2-5)16(7)8(3-4-8)9(11,12)13/h5H,1-4H2.
What are the key properties of 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole has a molecular weight of 251.64 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole is sourced from PubChem (CID 106215630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).