4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine

C6H3ClFN3 — CID 135393391

IUPAC4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine
SMILESFc1ccn2ncnc(Cl)c12
InChIInChI=1S/C6H3ClFN3/c7-6-5-4(8)1-2-11(5)10-3-9-6/h1-3H
InChIKeyPFQUEGBQMALYGZ-UHFFFAOYSA-N
MW171.56 g/mol
LogP1.52
Rot. Bonds

About 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine

4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine (PubChem CID 135393391) has the molecular formula C6H3ClFN3 and a molecular weight of 171.56 g/mol. Its IUPAC name is 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine
PubChem CID135393391
Molecular FormulaC6H3ClFN3
Molecular Weight171.56 g/mol
Exact Mass171.00
IUPAC Name4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine
SMILESFc1ccn2ncnc(Cl)c12
InChIInChI=1S/C6H3ClFN3/c7-6-5-4(8)1-2-11(5)10-3-9-6/h1-3H
InChIKeyPFQUEGBQMALYGZ-UHFFFAOYSA-N
XLogP1.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine (CID 135393391) is 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine is Fc1ccn2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is PFQUEGBQMALYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN3/c7-6-5-4(8)1-2-11(5)10-3-9-6/h1-3H.
What are the key properties of 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine?
4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 171.56 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoropyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 135393391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).