3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole

C11H10ClF2N3 — CID 63384989

IUPAC3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H10ClF2N3/c1-2-3-10-15-16-11(12)17(10)7-4-5-8(13)9(14)6-7/h4-6H,2-3H2,1H3
InChIKeyZVOVPVOYKBBWAX-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.15
Rot. Bonds3

About 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole

3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole (PubChem CID 63384989) has the molecular formula C11H10ClF2N3 and a molecular weight of 257.67 g/mol. Its IUPAC name is 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole
PubChem CID63384989
Molecular FormulaC11H10ClF2N3
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H10ClF2N3/c1-2-3-10-15-16-11(12)17(10)7-4-5-8(13)9(14)6-7/h4-6H,2-3H2,1H3
InChIKeyZVOVPVOYKBBWAX-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole (CID 63384989) is 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole?
The InChIKey is ZVOVPVOYKBBWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3/c1-2-3-10-15-16-11(12)17(10)7-4-5-8(13)9(14)6-7/h4-6H,2-3H2,1H3.
What are the key properties of 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole?
3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole has a molecular weight of 257.67 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole is sourced from PubChem (CID 63384989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).