2,6-di(propan-2-yl)pyridazin-3-one

C10H16N2O — CID 58748005

IUPAC2,6-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C10H16N2O/c1-7(2)9-5-6-10(13)12(11-9)8(3)4/h5-8H,1-4H3
InChIKeyLMAYZOONFHTMRA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds2

About 2,6-di(propan-2-yl)pyridazin-3-one

2,6-di(propan-2-yl)pyridazin-3-one (PubChem CID 58748005) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2,6-di(propan-2-yl)pyridazin-3-one
PubChem CID58748005
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,6-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C10H16N2O/c1-7(2)9-5-6-10(13)12(11-9)8(3)4/h5-8H,1-4H3
InChIKeyLMAYZOONFHTMRA-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 52564125
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
2-(2,2-Difluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 176725895
6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
6-Cyclopropyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 126857342
2-Propan-2-ylcinnolin-3-one
CID 21779160
2-Ethyl-6-methylpyridazin-3-one
CID 12504075
6-Methyl-2-propylpyridazin-3-one
CID 12504076
2-Butyl-6-methylpyridazin-3-one
CID 12758398
6-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 58336912

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)pyridazin-3-one?
The IUPAC name of 2,6-di(propan-2-yl)pyridazin-3-one (CID 58748005) is 2,6-di(propan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2,6-di(propan-2-yl)pyridazin-3-one?
The canonical SMILES for 2,6-di(propan-2-yl)pyridazin-3-one is CC(C)c1ccc(=O)n(C(C)C)n1.
What is the InChIKey of 2,6-di(propan-2-yl)pyridazin-3-one?
The InChIKey is LMAYZOONFHTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)9-5-6-10(13)12(11-9)8(3)4/h5-8H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)pyridazin-3-one?
2,6-di(propan-2-yl)pyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)pyridazin-3-one is sourced from PubChem (CID 58748005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).