bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane

C12H22F6N4O4S2Si — CID 131732126

IUPACbis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane
SMILESCCCc1c[n+](C[Si](C)(C)C)nn1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22N3Si.C2F6NO4S2/c1-6-7-10-8-13(11-12(10)2)9-14(3,4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,6-7,9H2,1-5H3;/q+1;-1
InChIKeyLFAQJTXEQOCDEV-UHFFFAOYSA-N
MW492.54 g/mol
LogP2.60
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane

bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane (PubChem CID 131732126) has the molecular formula C12H22F6N4O4S2Si and a molecular weight of 492.54 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane
PubChem CID131732126
Molecular FormulaC12H22F6N4O4S2Si
Molecular Weight492.54 g/mol
Exact Mass492.08
IUPAC Namebis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane
SMILESCCCc1c[n+](C[Si](C)(C)C)nn1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22N3Si.C2F6NO4S2/c1-6-7-10-8-13(11-12(10)2)9-14(3,4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,6-7,9H2,1-5H3;/q+1;-1
InChIKeyLFAQJTXEQOCDEV-UHFFFAOYSA-N
XLogP2.60
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane (CID 131732126) is bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane is CCCc1c[n+](C[Si](C)(C)C)nn1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane?
The InChIKey is LFAQJTXEQOCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3Si.C2F6NO4S2/c1-6-7-10-8-13(11-12(10)2)9-14(3,4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,6-7,9H2,1-5H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane?
bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane has a molecular weight of 492.54 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;trimethyl-[(3-methyl-4-propyltriazol-1-ium-1-yl)methyl]silane is sourced from PubChem (CID 131732126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).