trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane

C7H14N4O2Si — CID 175761676

IUPACtrimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane
SMILESC[Si](C)(C)CCn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C7H14N4O2Si/c1-14(2,3)5-4-10-6-8-7(9-10)11(12)13/h6H,4-5H2,1-3H3
InChIKeyNFVFILBPVDRPLD-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.52
Rot. Bonds4

About trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane

trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane (PubChem CID 175761676) has the molecular formula C7H14N4O2Si and a molecular weight of 214.30 g/mol. Its IUPAC name is trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane
PubChem CID175761676
Molecular FormulaC7H14N4O2Si
Molecular Weight214.30 g/mol
Exact Mass214.09
IUPAC Nametrimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane
SMILESC[Si](C)(C)CCn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C7H14N4O2Si/c1-14(2,3)5-4-10-6-8-7(9-10)11(12)13/h6H,4-5H2,1-3H3
InChIKeyNFVFILBPVDRPLD-UHFFFAOYSA-N
XLogP1.52
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane?
The IUPAC name of trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane (CID 175761676) is trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane.
What is the SMILES notation for trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane?
The canonical SMILES for trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane is C[Si](C)(C)CCn1cnc([N+](=O)[O-])n1.
What is the InChIKey of trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane?
The InChIKey is NFVFILBPVDRPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2Si/c1-14(2,3)5-4-10-6-8-7(9-10)11(12)13/h6H,4-5H2,1-3H3.
What are the key properties of trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane?
trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane has a molecular weight of 214.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]silane is sourced from PubChem (CID 175761676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).