2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline

C14H8Cl2N6 — CID 89419976

IUPAC2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1nc2nc(Cl)cc(Cl)n2n1
InChIInChI=1S/C14H8Cl2N6/c1-7-12(18-9-5-3-2-4-8(9)17-7)13-20-14-19-10(15)6-11(16)22(14)21-13/h2-6H,1H3
InChIKeyKGRAZYXNVCJIEF-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.35
Rot. Bonds1

About 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline

2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline (PubChem CID 89419976) has the molecular formula C14H8Cl2N6 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline
PubChem CID89419976
Molecular FormulaC14H8Cl2N6
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1nc2nc(Cl)cc(Cl)n2n1
InChIInChI=1S/C14H8Cl2N6/c1-7-12(18-9-5-3-2-4-8(9)17-7)13-20-14-19-10(15)6-11(16)22(14)21-13/h2-6H,1H3
InChIKeyKGRAZYXNVCJIEF-UHFFFAOYSA-N
XLogP3.35
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
The IUPAC name of 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline (CID 89419976) is 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline.
What is the SMILES notation for 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
The canonical SMILES for 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline is Cc1nc2ccccc2nc1-c1nc2nc(Cl)cc(Cl)n2n1.
What is the InChIKey of 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
The InChIKey is KGRAZYXNVCJIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N6/c1-7-12(18-9-5-3-2-4-8(9)17-7)13-20-14-19-10(15)6-11(16)22(14)21-13/h2-6H,1H3.
What are the key properties of 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline?
2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline has a molecular weight of 331.17 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline is sourced from PubChem (CID 89419976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).