3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole

C11H9ClFN3 — CID 61336353

IUPAC3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
SMILESFc1cccc(Cl)c1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H9ClFN3/c12-7-2-1-3-8(13)9(7)11-14-10(15-16-11)6-4-5-6/h1-3,6H,4-5H2,(H,14,15,16)
InChIKeyNZGVYAGVYZRGMB-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.14
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole

3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole (PubChem CID 61336353) has the molecular formula C11H9ClFN3 and a molecular weight of 237.66 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
PubChem CID61336353
Molecular FormulaC11H9ClFN3
Molecular Weight237.66 g/mol
Exact Mass237.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
SMILESFc1cccc(Cl)c1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H9ClFN3/c12-7-2-1-3-8(13)9(7)11-14-10(15-16-11)6-4-5-6/h1-3,6H,4-5H2,(H,14,15,16)
InChIKeyNZGVYAGVYZRGMB-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole (CID 61336353) is 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole is Fc1cccc(Cl)c1-c1n[nH]c(C2CC2)n1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole?
The InChIKey is NZGVYAGVYZRGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-7-2-1-3-8(13)9(7)11-14-10(15-16-11)6-4-5-6/h1-3,6H,4-5H2,(H,14,15,16).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole?
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole has a molecular weight of 237.66 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole is sourced from PubChem (CID 61336353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).