N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine

C14H32N4Si2 — CID 91738942

IUPACN,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine
SMILESCC(C)(C)[Si](C)(C)Nc1ncnn1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32N4Si2/c1-13(2,3)19(7,8)17-12-15-11-16-18(12)20(9,10)14(4,5)6/h11H,1-10H3,(H,15,16,17)
InChIKeyGXQLSGIFWWLCQZ-UHFFFAOYSA-N
MW312.61 g/mol
LogP4.55
Rot. Bonds3

About N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine

N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine (PubChem CID 91738942) has the molecular formula C14H32N4Si2 and a molecular weight of 312.61 g/mol. Its IUPAC name is N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine
PubChem CID91738942
Molecular FormulaC14H32N4Si2
Molecular Weight312.61 g/mol
Exact Mass312.22
IUPAC NameN,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine
SMILESCC(C)(C)[Si](C)(C)Nc1ncnn1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32N4Si2/c1-13(2,3)19(7,8)17-12-15-11-16-18(12)20(9,10)14(4,5)6/h11H,1-10H3,(H,15,16,17)
InChIKeyGXQLSGIFWWLCQZ-UHFFFAOYSA-N
XLogP4.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine (CID 91738942) is N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine is CC(C)(C)[Si](C)(C)Nc1ncnn1[Si](C)(C)C(C)(C)C.
What is the InChIKey of N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
The InChIKey is GXQLSGIFWWLCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4Si2/c1-13(2,3)19(7,8)17-12-15-11-16-18(12)20(9,10)14(4,5)6/h11H,1-10H3,(H,15,16,17).
What are the key properties of N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine has a molecular weight of 312.61 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 91738942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).