5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile

C9H4F2N4 — CID 58501892

IUPAC5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1c(F)cccc1F
InChIInChI=1S/C9H4F2N4/c10-5-2-1-3-6(11)8(5)9-7(4-12)13-15-14-9/h1-3H,(H,13,14,15)
InChIKeyMDNWOLZOMKGVHR-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.62
Rot. Bonds1

About 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile

5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile (PubChem CID 58501892) has the molecular formula C9H4F2N4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile
PubChem CID58501892
Molecular FormulaC9H4F2N4
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1c(F)cccc1F
InChIInChI=1S/C9H4F2N4/c10-5-2-1-3-6(11)8(5)9-7(4-12)13-15-14-9/h1-3H,(H,13,14,15)
InChIKeyMDNWOLZOMKGVHR-UHFFFAOYSA-N
XLogP1.62
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile (CID 58501892) is 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile?
The InChIKey is MDNWOLZOMKGVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N4/c10-5-2-1-3-6(11)8(5)9-7(4-12)13-15-14-9/h1-3H,(H,13,14,15).
What are the key properties of 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile?
5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile has a molecular weight of 206.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 58501892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).