2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine

C17H14FN5O — CID 155468208

IUPAC2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine
SMILESFc1ccc(C2=NN3C=C(COc4ccccn4)NC3N=C2)cc1
InChIInChI=1S/C17H14FN5O/c18-13-6-4-12(5-7-13)15-9-20-17-21-14(10-23(17)22-15)11-24-16-3-1-2-8-19-16/h1-10,17,21H,11H2
InChIKeyVXTBZYHDBZYVDN-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine

2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine (PubChem CID 155468208) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine
PubChem CID155468208
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine
SMILESFc1ccc(C2=NN3C=C(COc4ccccn4)NC3N=C2)cc1
InChIInChI=1S/C17H14FN5O/c18-13-6-4-12(5-7-13)15-9-20-17-21-14(10-23(17)22-15)11-24-16-3-1-2-8-19-16/h1-10,17,21H,11H2
InChIKeyVXTBZYHDBZYVDN-UHFFFAOYSA-N
XLogP2.12
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine (CID 155468208) is 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine is Fc1ccc(C2=NN3C=C(COc4ccccn4)NC3N=C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine?
The InChIKey is VXTBZYHDBZYVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-13-6-4-12(5-7-13)15-9-20-17-21-14(10-23(17)22-15)11-24-16-3-1-2-8-19-16/h1-10,17,21H,11H2.
What are the key properties of 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine?
2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine has a molecular weight of 323.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(pyridin-2-yloxymethyl)-4a,5-dihydroimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 155468208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).