7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H28N4OSi — CID 59232090

IUPAC7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCCCCc1ccc2c(N)ncnn12
InChIInChI=1S/C16H28N4OSi/c1-16(2,3)22(4,5)21-11-7-6-8-13-9-10-14-15(17)18-12-19-20(13)14/h9-10,12H,6-8,11H2,1-5H3,(H2,17,18,19)
InChIKeyCNNGELVBTNDWSP-UHFFFAOYSA-N
MW320.51 g/mol
LogP3.66
Rot. Bonds6

About 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 59232090) has the molecular formula C16H28N4OSi and a molecular weight of 320.51 g/mol. Its IUPAC name is 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID59232090
Molecular FormulaC16H28N4OSi
Molecular Weight320.51 g/mol
Exact Mass320.20
IUPAC Name7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCCCCc1ccc2c(N)ncnn12
InChIInChI=1S/C16H28N4OSi/c1-16(2,3)22(4,5)21-11-7-6-8-13-9-10-14-15(17)18-12-19-20(13)14/h9-10,12H,6-8,11H2,1-5H3,(H2,17,18,19)
InChIKeyCNNGELVBTNDWSP-UHFFFAOYSA-N
XLogP3.66
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-fluoropentan-2-yl]oxymethylphosphonic acid
CID 137510629
(2R,3R,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-methoxybutane-1,3-diol
CID 139424057
(2S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-(fluoromethyl)-2-methoxybutan-1-ol
CID 166753854
[(1R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-methyl-ethoxy]methylphosphonic acid
CID 130427539
7-Ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10351991
2-Fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 144347686
5-Fluoro-7-(3-methoxybutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 144842923
[4-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] 20,20,20-trifluoroicosyl hydrogen phosphite
CID 172274856
7-Methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 55252550
7-Propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58527371
4-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol
CID 58529282
1-{4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}propan-1-ol
CID 58529308

Frequently Asked Questions

What is the IUPAC name of 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 59232090) is 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)(C)[Si](C)(C)OCCCCc1ccc2c(N)ncnn12.
What is the InChIKey of 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is CNNGELVBTNDWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OSi/c1-16(2,3)22(4,5)21-11-7-6-8-13-9-10-14-15(17)18-12-19-20(13)14/h9-10,12H,6-8,11H2,1-5H3,(H2,17,18,19).
What are the key properties of 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 320.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 59232090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).