1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine

C6H8F3N5 — CID 155130452

IUPAC1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESC=CCN(N)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N5/c1-2-3-14(10)5-11-4(12-13-5)6(7,8)9/h2H,1,3,10H2,(H,11,12,13)
InChIKeyOHHXUXABOGSRST-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.69
Rot. Bonds3

About 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine

1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (PubChem CID 155130452) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
PubChem CID155130452
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESC=CCN(N)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N5/c1-2-3-14(10)5-11-4(12-13-5)6(7,8)9/h2H,1,3,10H2,(H,11,12,13)
InChIKeyOHHXUXABOGSRST-UHFFFAOYSA-N
XLogP0.69
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine 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-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (CID 155130452) is 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is C=CCN(N)c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is OHHXUXABOGSRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c1-2-3-14(10)5-11-4(12-13-5)6(7,8)9/h2H,1,3,10H2,(H,11,12,13).
What are the key properties of 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 207.16 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 155130452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).