7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C10H7ClN4O2 — CID 10658362

IUPAC7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Cl)ccc2n2nc(CO)nc12
InChIInChI=1S/C10H7ClN4O2/c11-5-1-2-7-6(3-5)12-10(17)9-13-8(4-16)14-15(7)9/h1-3,16H,4H2,(H,12,17)
InChIKeyRFRZUJVOHYCYRG-UHFFFAOYSA-N
MW250.65 g/mol
LogP0.72
Rot. Bonds1

About 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 10658362) has the molecular formula C10H7ClN4O2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID10658362
Molecular FormulaC10H7ClN4O2
Molecular Weight250.65 g/mol
Exact Mass250.03
IUPAC Name7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Cl)ccc2n2nc(CO)nc12
InChIInChI=1S/C10H7ClN4O2/c11-5-1-2-7-6(3-5)12-10(17)9-13-8(4-16)14-15(7)9/h1-3,16H,4H2,(H,12,17)
InChIKeyRFRZUJVOHYCYRG-UHFFFAOYSA-N
XLogP0.72
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 10658362) is 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2cc(Cl)ccc2n2nc(CO)nc12.
What is the InChIKey of 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is RFRZUJVOHYCYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2/c11-5-1-2-7-6(3-5)12-10(17)9-13-8(4-16)14-15(7)9/h1-3,16H,4H2,(H,12,17).
What are the key properties of 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 250.65 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(hydroxymethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10658362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).