N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C12H20N4Si — CID 172845510

IUPACN-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](C)(C)Nc1ncnn2cccc12
InChIInChI=1S/C12H20N4Si/c1-12(2,3)17(4,5)15-11-10-7-6-8-16(10)14-9-13-11/h6-9H,1-5H3,(H,13,14,15)
InChIKeyXJBVOHIMQGZDMF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.15
Rot. Bonds2

About N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 172845510) has the molecular formula C12H20N4Si and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID172845510
Molecular FormulaC12H20N4Si
Molecular Weight248.41 g/mol
Exact Mass248.15
IUPAC NameN-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](C)(C)Nc1ncnn2cccc12
InChIInChI=1S/C12H20N4Si/c1-12(2,3)17(4,5)15-11-10-7-6-8-16(10)14-9-13-11/h6-9H,1-5H3,(H,13,14,15)
InChIKeyXJBVOHIMQGZDMF-UHFFFAOYSA-N
XLogP3.15
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.15
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-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 172845510) is N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)(C)[Si](C)(C)Nc1ncnn2cccc12.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XJBVOHIMQGZDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4Si/c1-12(2,3)17(4,5)15-11-10-7-6-8-16(10)14-9-13-11/h6-9H,1-5H3,(H,13,14,15).
What are the key properties of N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 248.41 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 172845510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).