7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C6H4FN3O — CID 136621414

IUPAC7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2c(F)ccc12
InChIInChI=1S/C6H4FN3O/c7-5-2-1-4-6(11)8-3-9-10(4)5/h1-3H,(H,8,9,11)
InChIKeyKAQZIRJTRVMBIV-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.16
Rot. Bonds

About 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 136621414) has the molecular formula C6H4FN3O and a molecular weight of 153.12 g/mol. Its IUPAC name is 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID136621414
Molecular FormulaC6H4FN3O
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2c(F)ccc12
InChIInChI=1S/C6H4FN3O/c7-5-2-1-4-6(11)8-3-9-10(4)5/h1-3H,(H,8,9,11)
InChIKeyKAQZIRJTRVMBIV-UHFFFAOYSA-N
XLogP0.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 136621414) is 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]cnn2c(F)ccc12.
What is the InChIKey of 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is KAQZIRJTRVMBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O/c7-5-2-1-4-6(11)8-3-9-10(4)5/h1-3H,(H,8,9,11).
What are the key properties of 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 153.12 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136621414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).