ethane;3,4,5-trimethylpyridazine

C13H28N2 — CID 142187300

IUPACethane;3,4,5-trimethylpyridazine
SMILESCC.CC.CC.Cc1cnnc(C)c1C
InChIInChI=1S/C7H10N2.3C2H6/c1-5-4-8-9-7(3)6(5)2;3*1-2/h4H,1-3H3;3*1-2H3
InChIKeyCHEKYAYADDZUSF-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.48
Rot. Bonds

About ethane;3,4,5-trimethylpyridazine

ethane;3,4,5-trimethylpyridazine (PubChem CID 142187300) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;3,4,5-trimethylpyridazine.

Molecular Properties

Compound Nameethane;3,4,5-trimethylpyridazine
PubChem CID142187300
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;3,4,5-trimethylpyridazine
SMILESCC.CC.CC.Cc1cnnc(C)c1C
InChIInChI=1S/C7H10N2.3C2H6/c1-5-4-8-9-7(3)6(5)2;3*1-2/h4H,1-3H3;3*1-2H3
InChIKeyCHEKYAYADDZUSF-UHFFFAOYSA-N
XLogP4.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine
CID 159225546
4,5-dimethyltriazine;ethane
CID 143657712
2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine
CID 158549407
3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
CID 157019762
3,4-dimethyl-5-piperazin-1-ylpyridazine
CID 91150829
4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
2,3,4,5-tetramethylpyridine;hydrate
CID 175106370
4-(4,5-dimethylpyridazin-3-yl)-2,6-difluorophenol
CID 162629950
3,4-dimethylpyridazine;ethane;propane
CID 164863019
3-bromo-5-methylpyridazin-4-amine
CID 82405237
(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 146043207
4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine
CID 144623526

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,5-trimethylpyridazine?
The IUPAC name of ethane;3,4,5-trimethylpyridazine (CID 142187300) is ethane;3,4,5-trimethylpyridazine.
What is the SMILES notation for ethane;3,4,5-trimethylpyridazine?
The canonical SMILES for ethane;3,4,5-trimethylpyridazine is CC.CC.CC.Cc1cnnc(C)c1C.
What is the InChIKey of ethane;3,4,5-trimethylpyridazine?
The InChIKey is CHEKYAYADDZUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.3C2H6/c1-5-4-8-9-7(3)6(5)2;3*1-2/h4H,1-3H3;3*1-2H3.
What are the key properties of ethane;3,4,5-trimethylpyridazine?
ethane;3,4,5-trimethylpyridazine has a molecular weight of 212.38 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5-trimethylpyridazine is sourced from PubChem (CID 142187300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).