2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one

C13H20N2O — CID 59177878

IUPAC2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(CC2CCCCC2)c(=O)c1C
InChIInChI=1S/C13H20N2O/c1-10-8-14-15(13(16)11(10)2)9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyDHJQRZNDPOOZBD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.44
Rot. Bonds2

About 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one

2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one (PubChem CID 59177878) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one
PubChem CID59177878
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(CC2CCCCC2)c(=O)c1C
InChIInChI=1S/C13H20N2O/c1-10-8-14-15(13(16)11(10)2)9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyDHJQRZNDPOOZBD-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one?
The IUPAC name of 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one (CID 59177878) is 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one?
The canonical SMILES for 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one is Cc1cnn(CC2CCCCC2)c(=O)c1C.
What is the InChIKey of 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one?
The InChIKey is DHJQRZNDPOOZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-14-15(13(16)11(10)2)9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one?
2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one has a molecular weight of 220.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4,5-dimethylpyridazin-3-one is sourced from PubChem (CID 59177878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).