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

C8H9ClF3N3 — CID 106215622

IUPAC3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C1(C(F)(F)F)CC1
InChIInChI=1S/C8H9ClF3N3/c1-2-5-13-14-6(9)15(5)7(3-4-7)8(10,11)12/h2-4H2,1H3
InChIKeyRRXJVNSRTLXFJP-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.55
Rot. Bonds2

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

3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole (PubChem CID 106215622) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
PubChem CID106215622
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1C1(C(F)(F)F)CC1
InChIInChI=1S/C8H9ClF3N3/c1-2-5-13-14-6(9)15(5)7(3-4-7)8(10,11)12/h2-4H2,1H3
InChIKeyRRXJVNSRTLXFJP-UHFFFAOYSA-N
XLogP2.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
4-Tert-butyl-3-chloro-5-methyl-1,2,4-triazole
CID 63383526
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-Tert-butyl-5-(difluoromethyl)-4-methyl-1,2,4-triazole
CID 129175046
4-Tert-butyl-3-fluoro-5-methyl-1,2,4-triazole
CID 146378679
4-Methyl-3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 158464728
3-Methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
CID 169246683
3-Chloro-5-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 63384888
3-Tert-butyl-5-chloro-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 63384934
3-Chloro-5-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385114
3-Chloro-5-propyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole (CID 106215622) is 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole is CCc1nnc(Cl)n1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The InChIKey is RRXJVNSRTLXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-2-5-13-14-6(9)15(5)7(3-4-7)8(10,11)12/h2-4H2,1H3.
What are the key properties of 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole has a molecular weight of 239.63 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole is sourced from PubChem (CID 106215622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).