4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide

C5H6F3N5O — CID 140550095

IUPAC4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
SMILESNNC(=O)c1nncn1CC(F)(F)F
InChIInChI=1S/C5H6F3N5O/c6-5(7,8)1-13-2-10-12-3(13)4(14)11-9/h2H,1,9H2,(H,11,14)
InChIKeyQFAZNSWGCFQZRC-UHFFFAOYSA-N
MW209.13 g/mol
LogP-0.56
Rot. Bonds2

About 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide

4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide (PubChem CID 140550095) has the molecular formula C5H6F3N5O and a molecular weight of 209.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
PubChem CID140550095
Molecular FormulaC5H6F3N5O
Molecular Weight209.13 g/mol
Exact Mass209.05
IUPAC Name4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
SMILESNNC(=O)c1nncn1CC(F)(F)F
InChIInChI=1S/C5H6F3N5O/c6-5(7,8)1-13-2-10-12-3(13)4(14)11-9/h2H,1,9H2,(H,11,14)
InChIKeyQFAZNSWGCFQZRC-UHFFFAOYSA-N
XLogP-0.56
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
1-Methyl-1H-1,2,4-triazole-3-carbohydrazide
CID 142359614
2-[3-(Trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
CID 54067350
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 67183316
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 90793360
1-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxamide
CID 159716903
4-(2,2,3,3,3-Pentafluoropropyl)-1,2,4-triazole-3-carboxamide
CID 169094234
N-(2,2,3,3,3-pentafluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 175726607
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864509

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide (CID 140550095) is 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide is NNC(=O)c1nncn1CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide?
The InChIKey is QFAZNSWGCFQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N5O/c6-5(7,8)1-13-2-10-12-3(13)4(14)11-9/h2H,1,9H2,(H,11,14).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide?
4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide has a molecular weight of 209.13 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 140550095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).