3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine

C13H14N6 — CID 11557899

IUPAC3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine
SMILES[H]/N=c1\nc(C)nc2n(-c3ccccc3)nc(CC)n12
InChIInChI=1S/C13H14N6/c1-3-11-17-19(10-7-5-4-6-8-10)13-16-9(2)15-12(14)18(11)13/h4-8,14H,3H2,1-2H3/b14-12+
InChIKeyGAHXIKWREYPBJG-WYMLVPIESA-N
MW254.30 g/mol
LogP1.27
Rot. Bonds2

About 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine

3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine (PubChem CID 11557899) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine.

Molecular Properties

Compound Name3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine
PubChem CID11557899
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine
SMILES[H]/N=c1\nc(C)nc2n(-c3ccccc3)nc(CC)n12
InChIInChI=1S/C13H14N6/c1-3-11-17-19(10-7-5-4-6-8-10)13-16-9(2)15-12(14)18(11)13/h4-8,14H,3H2,1-2H3/b14-12+
InChIKeyGAHXIKWREYPBJG-WYMLVPIESA-N
XLogP1.27
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine with MolForge

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Related Compounds

4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
CID 12867814
1-ethyl-3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 15210815
3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole
CID 11236662
15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493062
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-[4-(7-oxo-1,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]-1,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 102097082
5-methyl-1-phenyl-4-propyl-1,2,4-triazol-4-ium-3-thiolate
CID 15765967
6-ethyl-5-naphthalen-1-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1204122
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
4-ethyl-3-(4-methylphenyl)-1-phenylpyrazol-5-amine
CID 43670879
4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 71577988

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine?
The IUPAC name of 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine (CID 11557899) is 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine.
What is the SMILES notation for 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine?
The canonical SMILES for 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine is [H]/N=c1\nc(C)nc2n(-c3ccccc3)nc(CC)n12.
What is the InChIKey of 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine?
The InChIKey is GAHXIKWREYPBJG-WYMLVPIESA-N. The full InChI is InChI=1S/C13H14N6/c1-3-11-17-19(10-7-5-4-6-8-10)13-16-9(2)15-12(14)18(11)13/h4-8,14H,3H2,1-2H3/b14-12+.
What are the key properties of 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine?
3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine has a molecular weight of 254.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine is sourced from PubChem (CID 11557899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).