N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C17H14ClN5 — CID 22431325

IUPACN-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)c(Cl)c1
InChIInChI=1S/C17H14ClN5/c1-10-3-5-13(12(18)7-10)20-16-17-22-19-9-23(17)15-8-11(2)4-6-14(15)21-16/h3-9H,1-2H3,(H,20,21)
InChIKeyUDNJDGHEKPSGQE-UHFFFAOYSA-N
MW323.79 g/mol
LogP4.29
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431325) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431325
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC NameN-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)c(Cl)c1
InChIInChI=1S/C17H14ClN5/c1-10-3-5-13(12(18)7-10)20-16-17-22-19-9-23(17)15-8-11(2)4-6-14(15)21-16/h3-9H,1-2H3,(H,20,21)
InChIKeyUDNJDGHEKPSGQE-UHFFFAOYSA-N
XLogP4.29
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431325) is N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is UDNJDGHEKPSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-10-3-5-13(12(18)7-10)20-16-17-22-19-9-23(17)15-8-11(2)4-6-14(15)21-16/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 323.79 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).