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

C7H12F3N5O — CID 90063970

IUPAC1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESCOCCCN(N)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H12F3N5O/c1-16-4-2-3-15(11)6-12-5(13-14-6)7(8,9)10/h2-4,11H2,1H3,(H,12,13,14)
InChIKeyCYNJISOTJCURAF-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.54
Rot. Bonds5

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

1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (PubChem CID 90063970) has the molecular formula C7H12F3N5O and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
PubChem CID90063970
Molecular FormulaC7H12F3N5O
Molecular Weight239.20 g/mol
Exact Mass239.10
IUPAC Name1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESCOCCCN(N)c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H12F3N5O/c1-16-4-2-3-15(11)6-12-5(13-14-6)7(8,9)10/h2-4,11H2,1H3,(H,12,13,14)
InChIKeyCYNJISOTJCURAF-UHFFFAOYSA-N
XLogP0.54
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (CID 90063970) is 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is COCCCN(N)c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is CYNJISOTJCURAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5O/c1-16-4-2-3-15(11)6-12-5(13-14-6)7(8,9)10/h2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 239.20 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 90063970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).