ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine

C8H14N4 — CID 142935662

IUPACethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine
SMILESC=C/N=c1\cnncn1C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-7-6-4-8-9-5-10(6)2;1-2/h3-5H,1H2,2H3;1-2H3/b7-6+;
InChIKeyABRUQJYQKAIJNY-UHDJGPCESA-N
MW166.23 g/mol
LogP0.89
Rot. Bonds1

About ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine

ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine (PubChem CID 142935662) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine.

Molecular Properties

Compound Nameethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine
PubChem CID142935662
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Nameethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine
SMILESC=C/N=c1\cnncn1C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-7-6-4-8-9-5-10(6)2;1-2/h3-5H,1H2,2H3;1-2H3/b7-6+;
InChIKeyABRUQJYQKAIJNY-UHDJGPCESA-N
XLogP0.89
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine?
The IUPAC name of ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine (CID 142935662) is ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine.
What is the SMILES notation for ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine?
The canonical SMILES for ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine is C=C/N=c1\cnncn1C.CC.
What is the InChIKey of ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine?
The InChIKey is ABRUQJYQKAIJNY-UHDJGPCESA-N. The full InChI is InChI=1S/C6H8N4.C2H6/c1-3-7-6-4-8-9-5-10(6)2;1-2/h3-5H,1H2,2H3;1-2H3/b7-6+;.
What are the key properties of ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine?
ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine has a molecular weight of 166.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-4-methyl-1,2,4-triazin-5-imine is sourced from PubChem (CID 142935662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).