5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine

C14H10F3N5 — CID 134948432

IUPAC5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine
SMILESNn1c(Nc2ccc(F)cc2)nnc1-c1c(F)cccc1F
InChIInChI=1S/C14H10F3N5/c15-8-4-6-9(7-5-8)19-14-21-20-13(22(14)18)12-10(16)2-1-3-11(12)17/h1-7H,18H2,(H,19,21)
InChIKeyVOVGULUVLFBNOB-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.82
Rot. Bonds3

About 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine

5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine (PubChem CID 134948432) has the molecular formula C14H10F3N5 and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine
PubChem CID134948432
Molecular FormulaC14H10F3N5
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC Name5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine
SMILESNn1c(Nc2ccc(F)cc2)nnc1-c1c(F)cccc1F
InChIInChI=1S/C14H10F3N5/c15-8-4-6-9(7-5-8)19-14-21-20-13(22(14)18)12-10(16)2-1-3-11(12)17/h1-7H,18H2,(H,19,21)
InChIKeyVOVGULUVLFBNOB-UHFFFAOYSA-N
XLogP2.82
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine (CID 134948432) is 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine is Nn1c(Nc2ccc(F)cc2)nnc1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine?
The InChIKey is VOVGULUVLFBNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5/c15-8-4-6-9(7-5-8)19-14-21-20-13(22(14)18)12-10(16)2-1-3-11(12)17/h1-7H,18H2,(H,19,21).
What are the key properties of 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine?
5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine has a molecular weight of 305.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 134948432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).