ethane;ethene;iodomethane;4-methylpyridazine

C14H27IN2 — CID 159217707

IUPACethane;ethene;iodomethane;4-methylpyridazine
SMILESC=C.C=C.C=C.CC.CI.Cc1ccnnc1
InChIInChI=1S/C5H6N2.C2H6.3C2H4.CH3I/c1-5-2-3-6-7-4-5;5*1-2/h2-4H,1H3;1-2H3;3*1-2H2;1H3
InChIKeyKRHBYUPYIXFYKL-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.27
Rot. Bonds

About ethane;ethene;iodomethane;4-methylpyridazine

ethane;ethene;iodomethane;4-methylpyridazine (PubChem CID 159217707) has the molecular formula C14H27IN2 and a molecular weight of 350.29 g/mol. Its IUPAC name is ethane;ethene;iodomethane;4-methylpyridazine.

Molecular Properties

Compound Nameethane;ethene;iodomethane;4-methylpyridazine
PubChem CID159217707
Molecular FormulaC14H27IN2
Molecular Weight350.29 g/mol
Exact Mass350.12
IUPAC Nameethane;ethene;iodomethane;4-methylpyridazine
SMILESC=C.C=C.C=C.CC.CI.Cc1ccnnc1
InChIInChI=1S/C5H6N2.C2H6.3C2H4.CH3I/c1-5-2-3-6-7-4-5;5*1-2/h2-4H,1H3;1-2H3;3*1-2H2;1H3
InChIKeyKRHBYUPYIXFYKL-UHFFFAOYSA-N
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;ethene;iodomethane;4-methylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methylpyridazine
CID 91080152
5-methyl-2-pyridazin-4-ylpyrimidine
CID 130244220
ethane;4-methylpyridine
CID 54305436
trimethyl(pyridazin-4-yl)stannane
CID 18788585
ethene;6-methylphthalazine
CID 145318051
ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 160922898
ethane;3-methylpyridine;hydroiodide
CID 143140941
bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
tetrakis(4-methylpyridine);nickel
CID 160730254
(1R)-1-pyridazin-4-ylethanamine
CID 86332876
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;iodomethane;4-methylpyridazine?
The IUPAC name of ethane;ethene;iodomethane;4-methylpyridazine (CID 159217707) is ethane;ethene;iodomethane;4-methylpyridazine.
What is the SMILES notation for ethane;ethene;iodomethane;4-methylpyridazine?
The canonical SMILES for ethane;ethene;iodomethane;4-methylpyridazine is C=C.C=C.C=C.CC.CI.Cc1ccnnc1.
What is the InChIKey of ethane;ethene;iodomethane;4-methylpyridazine?
The InChIKey is KRHBYUPYIXFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C2H6.3C2H4.CH3I/c1-5-2-3-6-7-4-5;5*1-2/h2-4H,1H3;1-2H3;3*1-2H2;1H3.
What are the key properties of ethane;ethene;iodomethane;4-methylpyridazine?
ethane;ethene;iodomethane;4-methylpyridazine has a molecular weight of 350.29 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;iodomethane;4-methylpyridazine is sourced from PubChem (CID 159217707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).