4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one

C12H22N2O — CID 5461500

IUPAC4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCC(C)CC1=NNC(=O)CC1C
InChIInChI=1S/C12H22N2O/c1-4-5-6-9(2)7-11-10(3)8-12(15)14-13-11/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyHTZVEWNESRGXCD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.71
Rot. Bonds5

About 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one

4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 5461500) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID5461500
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCC(C)CC1=NNC(=O)CC1C
InChIInChI=1S/C12H22N2O/c1-4-5-6-9(2)7-11-10(3)8-12(15)14-13-11/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyHTZVEWNESRGXCD-UHFFFAOYSA-N
XLogP2.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one (CID 5461500) is 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one is CCCCC(C)CC1=NNC(=O)CC1C.
What is the InChIKey of 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HTZVEWNESRGXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-6-9(2)7-11-10(3)8-12(15)14-13-11/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one?
4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 210.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylhexyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 5461500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).