3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

C17H16N4O — CID 44567474

IUPAC3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESc1ccc(OCc2nnc3n2CCN3c2ccccc2)cc1
InChIInChI=1S/C17H16N4O/c1-3-7-14(8-4-1)20-11-12-21-16(18-19-17(20)21)13-22-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeySZNXQLJXGHOGBG-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.01
Rot. Bonds4

About 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 44567474) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID44567474
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESc1ccc(OCc2nnc3n2CCN3c2ccccc2)cc1
InChIInChI=1S/C17H16N4O/c1-3-7-14(8-4-1)20-11-12-21-16(18-19-17(20)21)13-22-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeySZNXQLJXGHOGBG-UHFFFAOYSA-N
XLogP3.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 44567474) is 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is c1ccc(OCc2nnc3n2CCN3c2ccccc2)cc1.
What is the InChIKey of 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is SZNXQLJXGHOGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-7-14(8-4-1)20-11-12-21-16(18-19-17(20)21)13-22-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 292.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-7-phenyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 44567474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).