4-bromo-2-cyclohexyl-5-methylpyridazin-3-one

C11H15BrN2O — CID 71374667

IUPAC4-bromo-2-cyclohexyl-5-methylpyridazin-3-one
SMILESCc1cnn(C2CCCCC2)c(=O)c1Br
InChIInChI=1S/C11H15BrN2O/c1-8-7-13-14(11(15)10(8)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyBBRRUMPVAXETIK-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.82
Rot. Bonds1

About 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one

4-bromo-2-cyclohexyl-5-methylpyridazin-3-one (PubChem CID 71374667) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-cyclohexyl-5-methylpyridazin-3-one
PubChem CID71374667
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-bromo-2-cyclohexyl-5-methylpyridazin-3-one
SMILESCc1cnn(C2CCCCC2)c(=O)c1Br
InChIInChI=1S/C11H15BrN2O/c1-8-7-13-14(11(15)10(8)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyBBRRUMPVAXETIK-UHFFFAOYSA-N
XLogP2.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one?
The IUPAC name of 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one (CID 71374667) is 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one is Cc1cnn(C2CCCCC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one?
The InChIKey is BBRRUMPVAXETIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-7-13-14(11(15)10(8)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one?
4-bromo-2-cyclohexyl-5-methylpyridazin-3-one has a molecular weight of 271.16 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclohexyl-5-methylpyridazin-3-one is sourced from PubChem (CID 71374667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).