5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine

C9H11FN4 — CID 169118083

IUPAC5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCCc1cc(F)c2cnc(N)nn12
InChIInChI=1S/C9H11FN4/c1-2-3-6-4-7(10)8-5-12-9(11)13-14(6)8/h4-5H,2-3H2,1H3,(H2,11,13)
InChIKeyNWNVYJFBAHRVJU-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.40
Rot. Bonds2

About 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine

5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169118083) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169118083
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCCc1cc(F)c2cnc(N)nn12
InChIInChI=1S/C9H11FN4/c1-2-3-6-4-7(10)8-5-12-9(11)13-14(6)8/h4-5H,2-3H2,1H3,(H2,11,13)
InChIKeyNWNVYJFBAHRVJU-UHFFFAOYSA-N
XLogP1.40
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169118083) is 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine is CCCc1cc(F)c2cnc(N)nn12.
What is the InChIKey of 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is NWNVYJFBAHRVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-2-3-6-4-7(10)8-5-12-9(11)13-14(6)8/h4-5H,2-3H2,1H3,(H2,11,13).
What are the key properties of 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 194.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-propylpyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169118083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).