8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C14H15ClN6 — CID 20889070

IUPAC8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3
InChIKeyOSPJDJMBSYTAAA-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.68
Rot. Bonds1

About 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 20889070) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID20889070
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3
InChIKeyOSPJDJMBSYTAAA-UHFFFAOYSA-N
XLogP1.68
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 20889070) is 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is CN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1.
What is the InChIKey of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is OSPJDJMBSYTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 302.77 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 20889070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).