6-(2-methylhexyl)-1H-pyridazine

C11H18N2 — CID 135163721

IUPAC6-(2-methylhexyl)-1H-pyridazine
SMILESCCCCC(C)CC1=CC=C=NN1
InChIInChI=1S/C11H18N2/c1-3-4-6-10(2)9-11-7-5-8-12-13-11/h5,7,10,13H,3-4,6,9H2,1-2H3
InChIKeyKTHHTONXBBFUNX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.83
Rot. Bonds5

About 6-(2-methylhexyl)-1H-pyridazine

6-(2-methylhexyl)-1H-pyridazine (PubChem CID 135163721) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-(2-methylhexyl)-1H-pyridazine.

Molecular Properties

Compound Name6-(2-methylhexyl)-1H-pyridazine
PubChem CID135163721
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-(2-methylhexyl)-1H-pyridazine
SMILESCCCCC(C)CC1=CC=C=NN1
InChIInChI=1S/C11H18N2/c1-3-4-6-10(2)9-11-7-5-8-12-13-11/h5,7,10,13H,3-4,6,9H2,1-2H3
InChIKeyKTHHTONXBBFUNX-UHFFFAOYSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylhexyl)-1H-pyridazine?
The IUPAC name of 6-(2-methylhexyl)-1H-pyridazine (CID 135163721) is 6-(2-methylhexyl)-1H-pyridazine.
What is the SMILES notation for 6-(2-methylhexyl)-1H-pyridazine?
The canonical SMILES for 6-(2-methylhexyl)-1H-pyridazine is CCCCC(C)CC1=CC=C=NN1.
What is the InChIKey of 6-(2-methylhexyl)-1H-pyridazine?
The InChIKey is KTHHTONXBBFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-6-10(2)9-11-7-5-8-12-13-11/h5,7,10,13H,3-4,6,9H2,1-2H3.
What are the key properties of 6-(2-methylhexyl)-1H-pyridazine?
6-(2-methylhexyl)-1H-pyridazine has a molecular weight of 178.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylhexyl)-1H-pyridazine is sourced from PubChem (CID 135163721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).