N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine

C8H12N4 — CID 144597060

IUPACN-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine
SMILESC=C/N=C(\C)C1=NCN(C)C=N1
InChIInChI=1S/C8H12N4/c1-4-9-7(2)8-10-5-12(3)6-11-8/h4-5H,1,6H2,2-3H3/b9-7+
InChIKeyBGRQEVNXSQMCDS-VQHVLOKHSA-N
MW164.21 g/mol
LogP0.92
Rot. Bonds2

About N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine

N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine (PubChem CID 144597060) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine.

Molecular Properties

Compound NameN-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine
PubChem CID144597060
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine
SMILESC=C/N=C(\C)C1=NCN(C)C=N1
InChIInChI=1S/C8H12N4/c1-4-9-7(2)8-10-5-12(3)6-11-8/h4-5H,1,6H2,2-3H3/b9-7+
InChIKeyBGRQEVNXSQMCDS-VQHVLOKHSA-N
XLogP0.92
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine?
The IUPAC name of N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine (CID 144597060) is N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine.
What is the SMILES notation for N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine?
The canonical SMILES for N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine is C=C/N=C(\C)C1=NCN(C)C=N1.
What is the InChIKey of N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine?
The InChIKey is BGRQEVNXSQMCDS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N4/c1-4-9-7(2)8-10-5-12(3)6-11-8/h4-5H,1,6H2,2-3H3/b9-7+.
What are the key properties of N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine?
N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine has a molecular weight of 164.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(1-methyl-2H-1,3,5-triazin-4-yl)ethanimine is sourced from PubChem (CID 144597060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).