6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine

C14H26N2 — CID 170451445

IUPAC6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine
SMILESCCCCCCC1=C(C)C(C)=C(C)N(C)N1
InChIInChI=1S/C14H26N2/c1-6-7-8-9-10-14-12(3)11(2)13(4)16(5)15-14/h15H,6-10H2,1-5H3
InChIKeyRLWCVPGYRSVSHW-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.97
Rot. Bonds5

About 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine

6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine (PubChem CID 170451445) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine.

Molecular Properties

Compound Name6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine
PubChem CID170451445
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine
SMILESCCCCCCC1=C(C)C(C)=C(C)N(C)N1
InChIInChI=1S/C14H26N2/c1-6-7-8-9-10-14-12(3)11(2)13(4)16(5)15-14/h15H,6-10H2,1-5H3
InChIKeyRLWCVPGYRSVSHW-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine?
The IUPAC name of 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine (CID 170451445) is 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine.
What is the SMILES notation for 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine?
The canonical SMILES for 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine is CCCCCCC1=C(C)C(C)=C(C)N(C)N1.
What is the InChIKey of 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine?
The InChIKey is RLWCVPGYRSVSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-7-8-9-10-14-12(3)11(2)13(4)16(5)15-14/h15H,6-10H2,1-5H3.
What are the key properties of 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine?
6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine has a molecular weight of 222.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-2,3,4,5-tetramethyl-1H-pyridazine is sourced from PubChem (CID 170451445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).