8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C10H7ClN4O — CID 11687301

IUPAC8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2ncnn2c2cc(Cl)ccc21
InChIInChI=1S/C10H7ClN4O/c1-14-7-3-2-6(11)4-8(7)15-9(10(14)16)12-5-13-15/h2-5H,1H3
InChIKeyDISFVUXACAUHGJ-UHFFFAOYSA-N
MW234.65 g/mol
LogP1.23
Rot. Bonds

About 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 11687301) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID11687301
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2ncnn2c2cc(Cl)ccc21
InChIInChI=1S/C10H7ClN4O/c1-14-7-3-2-6(11)4-8(7)15-9(10(14)16)12-5-13-15/h2-5H,1H3
InChIKeyDISFVUXACAUHGJ-UHFFFAOYSA-N
XLogP1.23
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 11687301) is 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is Cn1c(=O)c2ncnn2c2cc(Cl)ccc21.
What is the InChIKey of 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is DISFVUXACAUHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c1-14-7-3-2-6(11)4-8(7)15-9(10(14)16)12-5-13-15/h2-5H,1H3.
What are the key properties of 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 234.65 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 11687301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).