3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole

C10H13ClF3N3 — CID 115522352

IUPAC3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole
SMILESFC(F)(F)CCCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C10H13ClF3N3/c11-9-16-15-8(7-3-4-7)17(9)6-2-1-5-10(12,13)14/h7H,1-6H2
InChIKeyFOLWBHHPBZNZKD-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.54
Rot. Bonds5

About 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole

3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole (PubChem CID 115522352) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole
PubChem CID115522352
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole
SMILESFC(F)(F)CCCCn1c(Cl)nnc1C1CC1
InChIInChI=1S/C10H13ClF3N3/c11-9-16-15-8(7-3-4-7)17(9)6-2-1-5-10(12,13)14/h7H,1-6H2
InChIKeyFOLWBHHPBZNZKD-UHFFFAOYSA-N
XLogP3.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Chloro-4,5-dicyclopropyl-4h-1,2,4-triazole
CID 63384839
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
3-Tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539572
3-Cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 71010953
3-Ethyl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
CID 89734320
3-Cyclopropyl-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 117905819
4-Methyl-3-propan-2-yl-5-(trifluoromethyl)-1,2,4-triazole
CID 123605750
5-Cyclopropyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 144898582
5-Cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 146512200
4-(Difluoromethyl)-3-methyl-5-propan-2-yl-1,2,4-triazole
CID 147268249
3-(Cyclopropylmethyl)-4-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-1,2,4-triazole
CID 149170399
3-(Difluoromethyl)-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 156525624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole (CID 115522352) is 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole is FC(F)(F)CCCCn1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole?
The InChIKey is FOLWBHHPBZNZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c11-9-16-15-8(7-3-4-7)17(9)6-2-1-5-10(12,13)14/h7H,1-6H2.
What are the key properties of 3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole has a molecular weight of 267.68 g/mol, XLogP of 3.54, 5 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-(5,5,5-trifluoropentyl)-1,2,4-triazole is sourced from PubChem (CID 115522352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).