7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

C11H11FN4 — CID 169116971

IUPAC7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESC=CC1(c2cc(F)c3cnc(N)nn23)CC1
InChIInChI=1S/C11H11FN4/c1-2-11(3-4-11)9-5-7(12)8-6-14-10(13)15-16(8)9/h2,5-6H,1,3-4H2,(H2,13,15)
InChIKeyZDPRMAKBWBOHDP-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.67
Rot. Bonds2

About 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169116971) has the molecular formula C11H11FN4 and a molecular weight of 218.23 g/mol. Its IUPAC name is 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169116971
Molecular FormulaC11H11FN4
Molecular Weight218.23 g/mol
Exact Mass218.10
IUPAC Name7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESC=CC1(c2cc(F)c3cnc(N)nn23)CC1
InChIInChI=1S/C11H11FN4/c1-2-11(3-4-11)9-5-7(12)8-6-14-10(13)15-16(8)9/h2,5-6H,1,3-4H2,(H2,13,15)
InChIKeyZDPRMAKBWBOHDP-UHFFFAOYSA-N
XLogP1.67
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169116971) is 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is C=CC1(c2cc(F)c3cnc(N)nn23)CC1.
What is the InChIKey of 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is ZDPRMAKBWBOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-2-11(3-4-11)9-5-7(12)8-6-14-10(13)15-16(8)9/h2,5-6H,1,3-4H2,(H2,13,15).
What are the key properties of 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 218.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169116971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).