4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine

C17H18FN5O — CID 141134157

IUPAC4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine
SMILESFc1ccccc1Oc1ncnn2ccc(CN3CCNCC3)c12
InChIInChI=1S/C17H18FN5O/c18-14-3-1-2-4-15(14)24-17-16-13(5-8-23(16)21-12-20-17)11-22-9-6-19-7-10-22/h1-5,8,12,19H,6-7,9-11H2
InChIKeyFWUKDQUGHRKVPU-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.07
Rot. Bonds4

About 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine

4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 141134157) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID141134157
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine
SMILESFc1ccccc1Oc1ncnn2ccc(CN3CCNCC3)c12
InChIInChI=1S/C17H18FN5O/c18-14-3-1-2-4-15(14)24-17-16-13(5-8-23(16)21-12-20-17)11-22-9-6-19-7-10-22/h1-5,8,12,19H,6-7,9-11H2
InChIKeyFWUKDQUGHRKVPU-UHFFFAOYSA-N
XLogP2.07
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine (CID 141134157) is 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine is Fc1ccccc1Oc1ncnn2ccc(CN3CCNCC3)c12.
What is the InChIKey of 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is FWUKDQUGHRKVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-14-3-1-2-4-15(14)24-17-16-13(5-8-23(16)21-12-20-17)11-22-9-6-19-7-10-22/h1-5,8,12,19H,6-7,9-11H2.
What are the key properties of 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine?
4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 327.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 141134157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).