2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium

C17H20N5+ — CID 156629509

IUPAC2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium
SMILESCc1cc(C)c(C)c(-c2nc3nc(C)c(C)nc3n[n+]2C)c1
InChIInChI=1S/C17H20N5/c1-9-7-10(2)11(3)14(8-9)17-20-15-16(21-22(17)6)19-13(5)12(4)18-15/h7-8H,1-6H3/q+1
InChIKeyBZUWKACAISITIF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.45
Rot. Bonds1

About 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium

2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium (PubChem CID 156629509) has the molecular formula C17H20N5+ and a molecular weight of 294.38 g/mol. Its IUPAC name is 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium.

Molecular Properties

Compound Name2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium
PubChem CID156629509
Molecular FormulaC17H20N5+
Molecular Weight294.38 g/mol
Exact Mass294.17
IUPAC Name2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium
SMILESCc1cc(C)c(C)c(-c2nc3nc(C)c(C)nc3n[n+]2C)c1
InChIInChI=1S/C17H20N5/c1-9-7-10(2)11(3)14(8-9)17-20-15-16(21-22(17)6)19-13(5)12(4)18-15/h7-8H,1-6H3/q+1
InChIKeyBZUWKACAISITIF-UHFFFAOYSA-N
XLogP2.45
TPSA55.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 46742338
3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine
CID 9867205
3-(4-Naphthalen-1-ylmethyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine
CID 10150793
3-(4-Naphthalen-2-ylmethyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine
CID 10237678
3-(3-Methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
CID 54589079
3-(3,5-Dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
CID 54589241
2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7,8-dimethylquinoline
CID 54755729
6-Methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine
CID 53155992
6-Methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 53156005
6-Methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine
CID 53155979
2-[6-Methyl-3-(3-methylphenyl)-1,2,4-triazin-5-yl]-1,2,3,4-tetrahydroisoquinoline
CID 53156002
6-Methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine
CID 53155999

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium?
The IUPAC name of 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium (CID 156629509) is 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium.
What is the SMILES notation for 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium?
The canonical SMILES for 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium is Cc1cc(C)c(C)c(-c2nc3nc(C)c(C)nc3n[n+]2C)c1.
What is the InChIKey of 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium?
The InChIKey is BZUWKACAISITIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N5/c1-9-7-10(2)11(3)14(8-9)17-20-15-16(21-22(17)6)19-13(5)12(4)18-15/h7-8H,1-6H3/q+1.
What are the key properties of 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium?
2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium has a molecular weight of 294.38 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-e][1,2,4]triazin-2-ium is sourced from PubChem (CID 156629509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).