2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one

C10H16N2O — CID 59339231

IUPAC2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one
SMILESCc1c(C(C)C)nn(C)c(=O)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)9-7(3)8(4)10(13)12(5)11-9/h6H,1-5H3
InChIKeyGLJNRXLHCWNZTI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds1

About 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one

2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one (PubChem CID 59339231) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one
PubChem CID59339231
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one
SMILESCc1c(C(C)C)nn(C)c(=O)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)9-7(3)8(4)10(13)12(5)11-9/h6H,1-5H3
InChIKeyGLJNRXLHCWNZTI-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 162773660
6-Fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614414
5-Butan-2-yl-4-fluoro-2,6-dimethylpyridazin-3-one
CID 172614445
6-Methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
CID 15054348
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
6-Tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
4,5,6-Trimethyl-2-propan-2-ylpyridazin-3-one
CID 58962214
Ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827651
5,6-Ditert-butyl-2-methylpyridazin-3-one
CID 139493390
2,4-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 139522047
2,4-Dimethyl-6-propylpyridazin-3-one
CID 155699983
4-Tert-butyl-6-cyclopropyl-2-methylpyridazin-3-one
CID 157041620

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one (CID 59339231) is 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one is Cc1c(C(C)C)nn(C)c(=O)c1C.
What is the InChIKey of 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one?
The InChIKey is GLJNRXLHCWNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)9-7(3)8(4)10(13)12(5)11-9/h6H,1-5H3.
What are the key properties of 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one?
2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 59339231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).