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

C20H46N4Si3 — CID 91744083

IUPACN,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine
SMILESCC(C)(C)[Si](C)(C)N(c1ncnn1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H46N4Si3/c1-18(2,3)25(10,11)23-17(21-16-22-23)24(26(12,13)19(4,5)6)27(14,15)20(7,8)9/h16H,1-15H3
InChIKeyULNSOTRESSNLPZ-UHFFFAOYSA-N
MW426.87 g/mol
LogP6.95
Rot. Bonds4

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

N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine (PubChem CID 91744083) has the molecular formula C20H46N4Si3 and a molecular weight of 426.87 g/mol. Its IUPAC name is N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine
PubChem CID91744083
Molecular FormulaC20H46N4Si3
Molecular Weight426.87 g/mol
Exact Mass426.30
IUPAC NameN,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine
SMILESCC(C)(C)[Si](C)(C)N(c1ncnn1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H46N4Si3/c1-18(2,3)25(10,11)23-17(21-16-22-23)24(26(12,13)19(4,5)6)27(14,15)20(7,8)9/h16H,1-15H3
InChIKeyULNSOTRESSNLPZ-UHFFFAOYSA-N
XLogP6.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.87
LogP ≤ 56.95
H-Bond Donors ≤ 50
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,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine (CID 91744083) is N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine is CC(C)(C)[Si](C)(C)N(c1ncnn1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
The InChIKey is ULNSOTRESSNLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N4Si3/c1-18(2,3)25(10,11)23-17(21-16-22-23)24(26(12,13)19(4,5)6)27(14,15)20(7,8)9/h16H,1-15H3.
What are the key properties of N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine?
N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine has a molecular weight of 426.87 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-tris[tert-butyl(dimethyl)silyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 91744083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).