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

C9H7F2N5O — CID 175169804

IUPAC5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide
SMILESNNC(=O)c1n[nH]nc1-c1c(F)cccc1F
InChIInChI=1S/C9H7F2N5O/c10-4-2-1-3-5(11)6(4)7-8(9(17)13-12)15-16-14-7/h1-3H,12H2,(H,13,17)(H,14,15,16)
InChIKeyJNAHLYVHUVSFND-UHFFFAOYSA-N
MW239.19 g/mol
LogP0.35
Rot. Bonds2

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

5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide (PubChem CID 175169804) has the molecular formula C9H7F2N5O and a molecular weight of 239.19 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide
PubChem CID175169804
Molecular FormulaC9H7F2N5O
Molecular Weight239.19 g/mol
Exact Mass239.06
IUPAC Name5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide
SMILESNNC(=O)c1n[nH]nc1-c1c(F)cccc1F
InChIInChI=1S/C9H7F2N5O/c10-4-2-1-3-5(11)6(4)7-8(9(17)13-12)15-16-14-7/h1-3H,12H2,(H,13,17)(H,14,15,16)
InChIKeyJNAHLYVHUVSFND-UHFFFAOYSA-N
XLogP0.35
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide 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-carbohydrazide?
The IUPAC name of 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide (CID 175169804) is 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide?
The canonical SMILES for 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide is NNC(=O)c1n[nH]nc1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide?
The InChIKey is JNAHLYVHUVSFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N5O/c10-4-2-1-3-5(11)6(4)7-8(9(17)13-12)15-16-14-7/h1-3H,12H2,(H,13,17)(H,14,15,16).
What are the key properties of 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide?
5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide has a molecular weight of 239.19 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2H-triazole-4-carbohydrazide is sourced from PubChem (CID 175169804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).