6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline

C14H9ClN6 — CID 65426667

IUPAC6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
SMILESCc1nc(Cl)cc2nnc(-c3ccc4nccnc4c3)n12
InChIInChI=1S/C14H9ClN6/c1-8-18-12(15)7-13-19-20-14(21(8)13)9-2-3-10-11(6-9)17-5-4-16-10/h2-7H,1H3
InChIKeyAVGKEWYLQLQAJJ-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.70
Rot. Bonds1

About 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline

6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline (PubChem CID 65426667) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline.

Molecular Properties

Compound Name6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
PubChem CID65426667
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
SMILESCc1nc(Cl)cc2nnc(-c3ccc4nccnc4c3)n12
InChIInChI=1S/C14H9ClN6/c1-8-18-12(15)7-13-19-20-14(21(8)13)9-2-3-10-11(6-9)17-5-4-16-10/h2-7H,1H3
InChIKeyAVGKEWYLQLQAJJ-UHFFFAOYSA-N
XLogP2.70
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
3-(4-tert-butylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428394
7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 104670912
7-chloro-3-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428831
7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426301
7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428011
3-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 42631944
7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428791
7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428049
7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426303
3-(2-bromo-3-methylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 114023908
7-chloro-3-(2-fluoro-6-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65432875

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
The IUPAC name of 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline (CID 65426667) is 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline.
What is the SMILES notation for 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
The canonical SMILES for 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline is Cc1nc(Cl)cc2nnc(-c3ccc4nccnc4c3)n12.
What is the InChIKey of 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
The InChIKey is AVGKEWYLQLQAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c1-8-18-12(15)7-13-19-20-14(21(8)13)9-2-3-10-11(6-9)17-5-4-16-10/h2-7H,1H3.
What are the key properties of 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline?
6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline has a molecular weight of 296.72 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline is sourced from PubChem (CID 65426667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).