ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine

C11H19N3 — CID 163278418

IUPACethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine
SMILESC=Cn1nc(C)cc(C)/c1=N\C.CC
InChIInChI=1S/C9H13N3.C2H6/c1-5-12-9(10-4)7(2)6-8(3)11-12;1-2/h5-6H,1H2,2-4H3;1-2H3/b10-9+;
InChIKeyRBJHCCIEHCBTLN-RRABGKBLSA-N
MW193.29 g/mol
LogP2.16
Rot. Bonds1

About ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine

ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine (PubChem CID 163278418) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine.

Molecular Properties

Compound Nameethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine
PubChem CID163278418
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine
SMILESC=Cn1nc(C)cc(C)/c1=N\C.CC
InChIInChI=1S/C9H13N3.C2H6/c1-5-12-9(10-4)7(2)6-8(3)11-12;1-2/h5-6H,1H2,2-4H3;1-2H3/b10-9+;
InChIKeyRBJHCCIEHCBTLN-RRABGKBLSA-N
XLogP2.16
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine?
The IUPAC name of ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine (CID 163278418) is ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine.
What is the SMILES notation for ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine?
The canonical SMILES for ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine is C=Cn1nc(C)cc(C)/c1=N\C.CC.
What is the InChIKey of ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine?
The InChIKey is RBJHCCIEHCBTLN-RRABGKBLSA-N. The full InChI is InChI=1S/C9H13N3.C2H6/c1-5-12-9(10-4)7(2)6-8(3)11-12;1-2/h5-6H,1H2,2-4H3;1-2H3/b10-9+;.
What are the key properties of ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine?
ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine has a molecular weight of 193.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-N,4,6-trimethylpyridazin-3-imine is sourced from PubChem (CID 163278418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).