triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane

C14H19F3N4Si — CID 59729608

IUPACtriethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane
SMILESCC[Si](CC)(CC)c1ccnc(-c2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C14H19F3N4Si/c1-4-22(5-2,6-3)10-7-8-18-11(9-10)12-19-13(21-20-12)14(15,16)17/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyCYBRAJVHZHCRSD-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.60
Rot. Bonds5

About triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane

triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane (PubChem CID 59729608) has the molecular formula C14H19F3N4Si and a molecular weight of 328.41 g/mol. Its IUPAC name is triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane
PubChem CID59729608
Molecular FormulaC14H19F3N4Si
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Nametriethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane
SMILESCC[Si](CC)(CC)c1ccnc(-c2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C14H19F3N4Si/c1-4-22(5-2,6-3)10-7-8-18-11(9-10)12-19-13(21-20-12)14(15,16)17/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyCYBRAJVHZHCRSD-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane?
The IUPAC name of triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane (CID 59729608) is triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane.
What is the SMILES notation for triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane?
The canonical SMILES for triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane is CC[Si](CC)(CC)c1ccnc(-c2n[nH]c(C(F)(F)F)n2)c1.
What is the InChIKey of triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane?
The InChIKey is CYBRAJVHZHCRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4Si/c1-4-22(5-2,6-3)10-7-8-18-11(9-10)12-19-13(21-20-12)14(15,16)17/h7-9H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane?
triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane has a molecular weight of 328.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane is sourced from PubChem (CID 59729608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).