4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one

C16H20N2O — CID 106522097

IUPAC4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one
SMILESCc1c(-c2cccc(CC(C)C)c2)n[nH]c(=O)c1C
InChIInChI=1S/C16H20N2O/c1-10(2)8-13-6-5-7-14(9-13)15-11(3)12(4)16(19)18-17-15/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyFAXOZPRNZOGQNU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds3

About 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one

4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one (PubChem CID 106522097) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one
PubChem CID106522097
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one
SMILESCc1c(-c2cccc(CC(C)C)c2)n[nH]c(=O)c1C
InChIInChI=1S/C16H20N2O/c1-10(2)8-13-6-5-7-14(9-13)15-11(3)12(4)16(19)18-17-15/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyFAXOZPRNZOGQNU-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
3,5-dichloro-6-[3-(2-methylpropyl)phenyl]pyridin-2-amine
CID 102753955
5-methyl-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidine-4-thione
CID 106522084
2-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]propanamide
CID 23449563
5-fluoro-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidin-2-one
CID 106522060
4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde
CID 105408260
2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
CID 71277362
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243
3-[3-(2-hydroxyethyl)phenyl]-4-methyl-1H-pyridazin-6-one
CID 90332631
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
CID 116545232
2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
CID 116546024

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one (CID 106522097) is 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one is Cc1c(-c2cccc(CC(C)C)c2)n[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is FAXOZPRNZOGQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10(2)8-13-6-5-7-14(9-13)15-11(3)12(4)16(19)18-17-15/h5-7,9-10H,8H2,1-4H3,(H,18,19).
What are the key properties of 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one?
4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 256.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 106522097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).