1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline

C16H12N4O — CID 1415680

IUPAC1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(Oc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C16H12N4O/c1-11-18-19-15-16(21-12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)20(11)15/h2-10H,1H3
InChIKeyCJAOOCZOAYEWHE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.38
Rot. Bonds2

About 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline

1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 1415680) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID1415680
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(Oc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C16H12N4O/c1-11-18-19-15-16(21-12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)20(11)15/h2-10H,1H3
InChIKeyCJAOOCZOAYEWHE-UHFFFAOYSA-N
XLogP3.38
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline (CID 1415680) is 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nnc2c(Oc3ccccc3)nc3ccccc3n12.
What is the InChIKey of 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is CJAOOCZOAYEWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-18-19-15-16(21-12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)20(11)15/h2-10H,1H3.
What are the key properties of 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline?
1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 276.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 1415680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).