5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one

C10H11ClN2O — CID 12964329

IUPAC5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one
SMILESCCCC#Cc1c(Cl)cnn(C)c1=O
InChIInChI=1S/C10H11ClN2O/c1-3-4-5-6-8-9(11)7-12-13(2)10(8)14/h7H,3-4H2,1-2H3
InChIKeyUSDSMPHFLSNZNE-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.59
Rot. Bonds1

About 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one

5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one (PubChem CID 12964329) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one
PubChem CID12964329
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one
SMILESCCCC#Cc1c(Cl)cnn(C)c1=O
InChIInChI=1S/C10H11ClN2O/c1-3-4-5-6-8-9(11)7-12-13(2)10(8)14/h7H,3-4H2,1-2H3
InChIKeyUSDSMPHFLSNZNE-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-ethyl-4-methyl-3(2H)-pyridazinone
CID 13825165
4-methyl-5-chloro-2-i-propyl-3(2H)pyridazinone
CID 13853845
5-Chloro-2,4-dimethylpyridazin-3-one
CID 19081413
2,4,5-Trimethylpyridazin-3-one
CID 20669839
5-Chloro-2-(2-chloro-2-methylpropyl)-4-methylpyridazin-3-one
CID 23039521
5-chloro-2-methyl-4-(1-propyn-1-yl)-3(2H)-pyridazinone
CID 68497641
Ethane;2,4,5-trimethylpyridazin-3-one
CID 143899619
4-Chloro-2,5-dimethylpyridazin-3-one;ethane
CID 164902787
5-Chloro-4-methyl-2-propylpyridazin-3-one
CID 172732113
2-Butyl-5-chloro-4-methylpyridazin-3-one
CID 174531444
4-Chloro-5-(3,3-dimethylbut-1-ynyl)-2-methylpyridazin-3-one
CID 11356542
4-Chloro-2-methyl-5-pent-1-ynylpyridazin-3-one
CID 11458495

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one?
The IUPAC name of 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one (CID 12964329) is 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one.
What is the SMILES notation for 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one?
The canonical SMILES for 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one is CCCC#Cc1c(Cl)cnn(C)c1=O.
What is the InChIKey of 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one?
The InChIKey is USDSMPHFLSNZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-3-4-5-6-8-9(11)7-12-13(2)10(8)14/h7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one?
5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one has a molecular weight of 210.66 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-pent-1-ynylpyridazin-3-one is sourced from PubChem (CID 12964329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).