5-chloro-4-methyl-2-propylpyridazin-3-one

C8H11ClN2O — CID 172732113

IUPAC5-chloro-4-methyl-2-propylpyridazin-3-one
SMILESCCCn1ncc(Cl)c(C)c1=O
InChIInChI=1S/C8H11ClN2O/c1-3-4-11-8(12)6(2)7(9)5-10-11/h5H,3-4H2,1-2H3
InChIKeyHXZHGLSVCMSACP-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.62
Rot. Bonds2

About 5-chloro-4-methyl-2-propylpyridazin-3-one

5-chloro-4-methyl-2-propylpyridazin-3-one (PubChem CID 172732113) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-methyl-2-propylpyridazin-3-one
PubChem CID172732113
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5-chloro-4-methyl-2-propylpyridazin-3-one
SMILESCCCn1ncc(Cl)c(C)c1=O
InChIInChI=1S/C8H11ClN2O/c1-3-4-11-8(12)6(2)7(9)5-10-11/h5H,3-4H2,1-2H3
InChIKeyHXZHGLSVCMSACP-UHFFFAOYSA-N
XLogP1.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
2-tert-butyl-5-chloro-4-difluoromethylpyridazin-3-(2H)-one
CID 19081385
5-Chloro-2-methyl-4-(trifluoromethyl)pyridazin-3-one
CID 169655469
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
2-Ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 162611345
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
2-tert-butyl-5-chloro-4-methylpyridazin-3-(2H)-one
CID 13822264
5-chloro-2-ethyl-4-methyl-3(2H)-pyridazinone
CID 13825165
5-Chloro-2,4-diethylpyridazin-3-one
CID 13825166
4-methyl-5-chloro-2-i-propyl-3(2H)pyridazinone
CID 13853845
5-Chloro-2,4-dimethylpyridazin-3-one
CID 19081413

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-propylpyridazin-3-one?
The IUPAC name of 5-chloro-4-methyl-2-propylpyridazin-3-one (CID 172732113) is 5-chloro-4-methyl-2-propylpyridazin-3-one.
What is the SMILES notation for 5-chloro-4-methyl-2-propylpyridazin-3-one?
The canonical SMILES for 5-chloro-4-methyl-2-propylpyridazin-3-one is CCCn1ncc(Cl)c(C)c1=O.
What is the InChIKey of 5-chloro-4-methyl-2-propylpyridazin-3-one?
The InChIKey is HXZHGLSVCMSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-3-4-11-8(12)6(2)7(9)5-10-11/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-4-methyl-2-propylpyridazin-3-one?
5-chloro-4-methyl-2-propylpyridazin-3-one has a molecular weight of 186.64 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-propylpyridazin-3-one is sourced from PubChem (CID 172732113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).