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

C17H15N5O — CID 22431373

IUPACN-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1
InChIInChI=1S/C17H15N5O/c1-11-3-8-14-15(9-11)22-10-18-21-17(22)16(20-14)19-12-4-6-13(23-2)7-5-12/h3-10H,1-2H3,(H,19,20)
InChIKeyBXYAWTQEFWINCC-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.34
Rot. Bonds3

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

N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431373) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431373
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1
InChIInChI=1S/C17H15N5O/c1-11-3-8-14-15(9-11)22-10-18-21-17(22)16(20-14)19-12-4-6-13(23-2)7-5-12/h3-10H,1-2H3,(H,19,20)
InChIKeyBXYAWTQEFWINCC-UHFFFAOYSA-N
XLogP3.34
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431373) is N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is COc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is BXYAWTQEFWINCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-3-8-14-15(9-11)22-10-18-21-17(22)16(20-14)19-12-4-6-13(23-2)7-5-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).