3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine

C10H10F3N3O — CID 15162607

IUPAC3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine
SMILESC#CCCCCOc1ncc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3O/c1-2-3-4-5-6-17-9-14-7-8(15-16-9)10(11,12)13/h1,7H,3-6H2
InChIKeyNXIJNOJRCIEYGY-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.07
Rot. Bonds5

About 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine

3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine (PubChem CID 15162607) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine
PubChem CID15162607
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine
SMILESC#CCCCCOc1ncc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3O/c1-2-3-4-5-6-17-9-14-7-8(15-16-9)10(11,12)13/h1,7H,3-6H2
InChIKeyNXIJNOJRCIEYGY-UHFFFAOYSA-N
XLogP2.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine (CID 15162607) is 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine is C#CCCCCOc1ncc(C(F)(F)F)nn1.
What is the InChIKey of 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine?
The InChIKey is NXIJNOJRCIEYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-2-3-4-5-6-17-9-14-7-8(15-16-9)10(11,12)13/h1,7H,3-6H2.
What are the key properties of 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine?
3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine has a molecular weight of 245.20 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 15162607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).