2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine

C9H10FN3 — CID 58332181

IUPAC2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCC(C)c1nc(F)nn2cccc12
InChIInChI=1S/C9H10FN3/c1-6(2)8-7-4-3-5-13(7)12-9(10)11-8/h3-6H,1-2H3
InChIKeyGCVIKJAQGQDOMZ-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.99
Rot. Bonds1

About 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine

2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 58332181) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID58332181
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCC(C)c1nc(F)nn2cccc12
InChIInChI=1S/C9H10FN3/c1-6(2)8-7-4-3-5-13(7)12-9(10)11-8/h3-6H,1-2H3
InChIKeyGCVIKJAQGQDOMZ-UHFFFAOYSA-N
XLogP1.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine (CID 58332181) is 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine is CC(C)c1nc(F)nn2cccc12.
What is the InChIKey of 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is GCVIKJAQGQDOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-6(2)8-7-4-3-5-13(7)12-9(10)11-8/h3-6H,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine?
2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 179.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 58332181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).