3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine

C15H28N2 — CID 91150875

IUPAC3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine
SMILESCCCCC(C)C1=NN=C(CCC(C)C)CC1
InChIInChI=1S/C15H28N2/c1-5-6-7-13(4)15-11-10-14(16-17-15)9-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeySPCCWACMUCSOLK-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.84
Rot. Bonds7

About 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine

3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine (PubChem CID 91150875) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine.

Molecular Properties

Compound Name3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine
PubChem CID91150875
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine
SMILESCCCCC(C)C1=NN=C(CCC(C)C)CC1
InChIInChI=1S/C15H28N2/c1-5-6-7-13(4)15-11-10-14(16-17-15)9-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeySPCCWACMUCSOLK-UHFFFAOYSA-N
XLogP4.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine?
The IUPAC name of 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine (CID 91150875) is 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine.
What is the SMILES notation for 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine?
The canonical SMILES for 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine is CCCCC(C)C1=NN=C(CCC(C)C)CC1.
What is the InChIKey of 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine?
The InChIKey is SPCCWACMUCSOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-6-7-13(4)15-11-10-14(16-17-15)9-8-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine?
3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine has a molecular weight of 236.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-6-(3-methylbutyl)-4,5-dihydropyridazine is sourced from PubChem (CID 91150875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).