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

C7H7ClF3N3 — CID 106215632

IUPAC3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
SMILESCc1nnc(Cl)n1C1(C(F)(F)F)CC1
InChIInChI=1S/C7H7ClF3N3/c1-4-12-13-5(8)14(4)6(2-3-6)7(9,10)11/h2-3H2,1H3
InChIKeyKKWQWLZWIKFHQT-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.29
Rot. Bonds1

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

3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole (PubChem CID 106215632) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
PubChem CID106215632
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
SMILESCc1nnc(Cl)n1C1(C(F)(F)F)CC1
InChIInChI=1S/C7H7ClF3N3/c1-4-12-13-5(8)14(4)6(2-3-6)7(9,10)11/h2-3H2,1H3
InChIKeyKKWQWLZWIKFHQT-UHFFFAOYSA-N
XLogP2.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-4-(trifluoromethyl)-1,2,4-triazole
CID 20719698
4-Tert-butyl-3-chloro-5-methyl-1,2,4-triazole
CID 63383526
4-Tert-butyl-3-fluoro-5-methyl-1,2,4-triazole
CID 146378679
3-Methyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
CID 169246683
3-Chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 63384886
3-Chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 63384933
3-Chloro-5-methyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385112
3-Chloro-5-methyl-4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazole
CID 105927938
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-cyclopropyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole
CID 106215630

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole (CID 106215632) is 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole is Cc1nnc(Cl)n1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
The InChIKey is KKWQWLZWIKFHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-4-12-13-5(8)14(4)6(2-3-6)7(9,10)11/h2-3H2,1H3.
What are the key properties of 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole?
3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole has a molecular weight of 225.60 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazole is sourced from PubChem (CID 106215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).