6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one

C8H11ClN2O — CID 162519863

IUPAC6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one
SMILESCc1cc(=O)n(C(C)C)nc1Cl
InChIInChI=1S/C8H11ClN2O/c1-5(2)11-7(12)4-6(3)8(9)10-11/h4-5H,1-3H3
InChIKeyRNYFSWHCHVVSFZ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.79
Rot. Bonds1

About 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one

6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one (PubChem CID 162519863) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one
PubChem CID162519863
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one
SMILESCc1cc(=O)n(C(C)C)nc1Cl
InChIInChI=1S/C8H11ClN2O/c1-5(2)11-7(12)4-6(3)8(9)10-11/h4-5H,1-3H3
InChIKeyRNYFSWHCHVVSFZ-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one (CID 162519863) is 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one is Cc1cc(=O)n(C(C)C)nc1Cl.
What is the InChIKey of 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is RNYFSWHCHVVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5(2)11-7(12)4-6(3)8(9)10-11/h4-5H,1-3H3.
What are the key properties of 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one?
6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 186.64 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 162519863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).