4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one

C10H16N2O — CID 170600352

IUPAC4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCCc1c(C(C)C)cnn(C)c1=O
InChIInChI=1S/C10H16N2O/c1-5-8-9(7(2)3)6-11-12(4)10(8)13/h6-7H,5H2,1-4H3
InChIKeySDBCOUMACQKMIO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.47
Rot. Bonds2

About 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one

4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one (PubChem CID 170600352) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
PubChem CID170600352
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
SMILESCCc1c(C(C)C)cnn(C)c1=O
InChIInChI=1S/C10H16N2O/c1-5-8-9(7(2)3)6-11-12(4)10(8)13/h6-7H,5H2,1-4H3
InChIKeySDBCOUMACQKMIO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-4-propan-2-ylpyridazin-3-one;ethane;2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 170587436
2-Methyl-4-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 170587438
4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614337
6-Fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614414
2,6,7-Trimethyl-5,8-dihydrophthalazin-1-one
CID 11030602
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
5-Chloro-2,4-diethylpyridazin-3-one
CID 13825166
2-Butyl-4,5-ditert-butylpyridazin-3-one
CID 20872023
4,5-Ditert-butyl-2-methylpyridazin-3-one
CID 20872054
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
4-Tert-butyl-2-methylpyridazin-3-one
CID 59598335

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one (CID 170600352) is 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one is CCc1c(C(C)C)cnn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one?
The InChIKey is SDBCOUMACQKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-8-9(7(2)3)6-11-12(4)10(8)13/h6-7H,5H2,1-4H3.
What are the key properties of 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one?
4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 170600352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).