1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide

C10H17F3N6O — CID 63585597

IUPAC1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCCN(CCn1cc(C(=O)NN)nn1)CC(F)(F)F
InChIInChI=1S/C10H17F3N6O/c1-2-3-18(7-10(11,12)13)4-5-19-6-8(16-17-19)9(20)15-14/h6H,2-5,7,14H2,1H3,(H,15,20)
InChIKeyFNRVLGUXWFQROA-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.16
Rot. Bonds7

About 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide

1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 63585597) has the molecular formula C10H17F3N6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID63585597
Molecular FormulaC10H17F3N6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCCN(CCn1cc(C(=O)NN)nn1)CC(F)(F)F
InChIInChI=1S/C10H17F3N6O/c1-2-3-18(7-10(11,12)13)4-5-19-6-8(16-17-19)9(20)15-14/h6H,2-5,7,14H2,1H3,(H,15,20)
InChIKeyFNRVLGUXWFQROA-UHFFFAOYSA-N
XLogP0.16
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]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 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide (CID 63585597) is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide is CCCN(CCn1cc(C(=O)NN)nn1)CC(F)(F)F.
What is the InChIKey of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is FNRVLGUXWFQROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6O/c1-2-3-18(7-10(11,12)13)4-5-19-6-8(16-17-19)9(20)15-14/h6H,2-5,7,14H2,1H3,(H,15,20).
What are the key properties of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 294.28 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63585597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).