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

C11H9ClFN3 — CID 39869672

IUPAC3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole
SMILESFc1ccc(-n2c(Cl)nnc2C2CC2)cc1
InChIInChI=1S/C11H9ClFN3/c12-11-15-14-10(7-1-2-7)16(11)9-5-3-8(13)4-6-9/h3-7H,1-2H2
InChIKeyYLMNNHFAOPOZIJ-UHFFFAOYSA-N
MW237.67 g/mol
LogP2.94
Rot. Bonds2

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

3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole (PubChem CID 39869672) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole
PubChem CID39869672
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole
SMILESFc1ccc(-n2c(Cl)nnc2C2CC2)cc1
InChIInChI=1S/C11H9ClFN3/c12-11-15-14-10(7-1-2-7)16(11)9-5-3-8(13)4-6-9/h3-7H,1-2H2
InChIKeyYLMNNHFAOPOZIJ-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole (CID 39869672) is 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole is Fc1ccc(-n2c(Cl)nnc2C2CC2)cc1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole?
The InChIKey is YLMNNHFAOPOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-11-15-14-10(7-1-2-7)16(11)9-5-3-8(13)4-6-9/h3-7H,1-2H2.
What are the key properties of 3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole has a molecular weight of 237.67 g/mol, XLogP of 2.94, 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-(4-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 39869672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).