5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline

C13H7ClN6 — CID 104615353

IUPAC5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
SMILESClc1cc2nnc(-c3cccc4nccnc34)n2cn1
InChIInChI=1S/C13H7ClN6/c14-10-6-11-18-19-13(20(11)7-17-10)8-2-1-3-9-12(8)16-5-4-15-9/h1-7H
InChIKeyLDJPWVBNYZGYDS-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.39
Rot. Bonds1

About 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline

5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline (PubChem CID 104615353) has the molecular formula C13H7ClN6 and a molecular weight of 282.69 g/mol. Its IUPAC name is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline.

Molecular Properties

Compound Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
PubChem CID104615353
Molecular FormulaC13H7ClN6
Molecular Weight282.69 g/mol
Exact Mass282.04
IUPAC Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
SMILESClc1cc2nnc(-c3cccc4nccnc34)n2cn1
InChIInChI=1S/C13H7ClN6/c14-10-6-11-18-19-13(20(11)7-17-10)8-2-1-3-9-12(8)16-5-4-15-9/h1-7H
InChIKeyLDJPWVBNYZGYDS-UHFFFAOYSA-N
XLogP2.39
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
The IUPAC name of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline (CID 104615353) is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline.
What is the SMILES notation for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
The canonical SMILES for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline is Clc1cc2nnc(-c3cccc4nccnc34)n2cn1.
What is the InChIKey of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
The InChIKey is LDJPWVBNYZGYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN6/c14-10-6-11-18-19-13(20(11)7-17-10)8-2-1-3-9-12(8)16-5-4-15-9/h1-7H.
What are the key properties of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline has a molecular weight of 282.69 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline is sourced from PubChem (CID 104615353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).