7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine

C10H13FN4 — CID 155185075

IUPAC7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)c1cc(F)c2c(N)ncnn12
InChIInChI=1S/C10H13FN4/c1-10(2,3)7-4-6(11)8-9(12)13-5-14-15(7)8/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyOOSGYYADUQBOOF-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.75
Rot. Bonds

About 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine

7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155185075) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155185075
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)c1cc(F)c2c(N)ncnn12
InChIInChI=1S/C10H13FN4/c1-10(2,3)7-4-6(11)8-9(12)13-5-14-15(7)8/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyOOSGYYADUQBOOF-UHFFFAOYSA-N
XLogP1.75
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155185075) is 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)(C)c1cc(F)c2c(N)ncnn12.
What is the InChIKey of 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is OOSGYYADUQBOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c1-10(2,3)7-4-6(11)8-9(12)13-5-14-15(7)8/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 208.24 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155185075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).