ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine

C10H17N3 — CID 163228773

IUPACethane;2-ethenyl-N,6-dimethylpyridazin-3-imine
SMILESC=Cn1nc(C)cc/c1=N\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-11-8(9-3)6-5-7(2)10-11;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-8+;
InChIKeyTUQCBVXYCMYOBX-HRNDJLQDSA-N
MW179.27 g/mol
LogP1.85
Rot. Bonds1

About ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine

ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine (PubChem CID 163228773) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine.

Molecular Properties

Compound Nameethane;2-ethenyl-N,6-dimethylpyridazin-3-imine
PubChem CID163228773
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;2-ethenyl-N,6-dimethylpyridazin-3-imine
SMILESC=Cn1nc(C)cc/c1=N\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-11-8(9-3)6-5-7(2)10-11;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-8+;
InChIKeyTUQCBVXYCMYOBX-HRNDJLQDSA-N
XLogP1.85
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.85
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,6-dimethylpyridazin-3-imine?
The IUPAC name of ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine (CID 163228773) is ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine.
What is the SMILES notation for ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine?
The canonical SMILES for ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine is C=Cn1nc(C)cc/c1=N\C.CC.
What is the InChIKey of ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine?
The InChIKey is TUQCBVXYCMYOBX-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-4-11-8(9-3)6-5-7(2)10-11;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-8+;.
What are the key properties of ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine?
ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine has a molecular weight of 179.27 g/mol, XLogP of 1.85, 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,6-dimethylpyridazin-3-imine is sourced from PubChem (CID 163228773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).