N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine

C17H17N7 — CID 155523000

IUPACN-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine
SMILESCc1cc(C)n2nc(CCNc3cnc4ccccc4n3)nc2n1
InChIInChI=1S/C17H17N7/c1-11-9-12(2)24-17(20-11)22-15(23-24)7-8-18-16-10-19-13-5-3-4-6-14(13)21-16/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyZNKWHDQHYAGBGF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.34
Rot. Bonds4

About N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine

N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine (PubChem CID 155523000) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine
PubChem CID155523000
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine
SMILESCc1cc(C)n2nc(CCNc3cnc4ccccc4n3)nc2n1
InChIInChI=1S/C17H17N7/c1-11-9-12(2)24-17(20-11)22-15(23-24)7-8-18-16-10-19-13-5-3-4-6-14(13)21-16/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyZNKWHDQHYAGBGF-UHFFFAOYSA-N
XLogP2.34
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine (CID 155523000) is N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine is Cc1cc(C)n2nc(CCNc3cnc4ccccc4n3)nc2n1.
What is the InChIKey of N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine?
The InChIKey is ZNKWHDQHYAGBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-11-9-12(2)24-17(20-11)22-15(23-24)7-8-18-16-10-19-13-5-3-4-6-14(13)21-16/h3-6,9-10H,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine?
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine has a molecular weight of 319.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 155523000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).