4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline

C18H16N4O — CID 7677782

IUPAC4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC(C)c1ccc(Oc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C18H16N4O/c1-12(2)13-7-9-14(10-8-13)23-18-17-21-19-11-22(17)16-6-4-3-5-15(16)20-18/h3-12H,1-2H3
InChIKeyBMYQBLWTZDHKLR-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.19
Rot. Bonds3

About 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline

4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 7677782) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID7677782
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC(C)c1ccc(Oc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C18H16N4O/c1-12(2)13-7-9-14(10-8-13)23-18-17-21-19-11-22(17)16-6-4-3-5-15(16)20-18/h3-12H,1-2H3
InChIKeyBMYQBLWTZDHKLR-UHFFFAOYSA-N
XLogP4.19
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 7677782) is 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline is CC(C)c1ccc(Oc2nc3ccccc3n3cnnc23)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is BMYQBLWTZDHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12(2)13-7-9-14(10-8-13)23-18-17-21-19-11-22(17)16-6-4-3-5-15(16)20-18/h3-12H,1-2H3.
What are the key properties of 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 304.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 7677782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).