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

C18H17N5 — CID 22431976

IUPACN-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc(Nc2nc3ccccc3n3c(C)nnc23)c(C)c1
InChIInChI=1S/C18H17N5/c1-11-8-9-14(12(2)10-11)19-17-18-22-21-13(3)23(18)16-7-5-4-6-15(16)20-17/h4-10H,1-3H3,(H,19,20)
InChIKeyWBRRIPLNUZEARG-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.95
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431976) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431976
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc(Nc2nc3ccccc3n3c(C)nnc23)c(C)c1
InChIInChI=1S/C18H17N5/c1-11-8-9-14(12(2)10-11)19-17-18-22-21-13(3)23(18)16-7-5-4-6-15(16)20-17/h4-10H,1-3H3,(H,19,20)
InChIKeyWBRRIPLNUZEARG-UHFFFAOYSA-N
XLogP3.95
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431976) is N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1ccc(Nc2nc3ccccc3n3c(C)nnc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is WBRRIPLNUZEARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-11-8-9-14(12(2)10-11)19-17-18-22-21-13(3)23(18)16-7-5-4-6-15(16)20-17/h4-10H,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).