1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine

C18H16N6O — CID 23791227

IUPAC1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine
SMILESCOc1ccc(C=Nc2nnc3c(n2)N(C)c2ccccc2N3)cc1
InChIInChI=1S/C18H16N6O/c1-24-15-6-4-3-5-14(15)20-16-17(24)21-18(23-22-16)19-11-12-7-9-13(25-2)10-8-12/h3-11H,1-2H3,(H,20,22)
InChIKeyHZEFGHFNBXZJRD-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine

1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine (PubChem CID 23791227) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine
PubChem CID23791227
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine
SMILESCOc1ccc(C=Nc2nnc3c(n2)N(C)c2ccccc2N3)cc1
InChIInChI=1S/C18H16N6O/c1-24-15-6-4-3-5-14(15)20-16-17(24)21-18(23-22-16)19-11-12-7-9-13(25-2)10-8-12/h3-11H,1-2H3,(H,20,22)
InChIKeyHZEFGHFNBXZJRD-UHFFFAOYSA-N
XLogP3.46
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine (CID 23791227) is 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine is COc1ccc(C=Nc2nnc3c(n2)N(C)c2ccccc2N3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine?
The InChIKey is HZEFGHFNBXZJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-24-15-6-4-3-5-14(15)20-16-17(24)21-18(23-22-16)19-11-12-7-9-13(25-2)10-8-12/h3-11H,1-2H3,(H,20,22).
What are the key properties of 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine?
1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine has a molecular weight of 332.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine is sourced from PubChem (CID 23791227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).