N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide

C12H18ClN3O3 — CID 154642659

IUPACN-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCOCC(O)c1cc(NC(=O)C(C)(C)C)nnc1Cl
InChIInChI=1S/C12H18ClN3O3/c1-12(2,3)11(18)14-9-5-7(8(17)6-19-4)10(13)16-15-9/h5,8,17H,6H2,1-4H3,(H,14,15,18)
InChIKeyDEHWYWIFBMQXKS-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.79
Rot. Bonds4

About N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 154642659) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID154642659
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC NameN-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCOCC(O)c1cc(NC(=O)C(C)(C)C)nnc1Cl
InChIInChI=1S/C12H18ClN3O3/c1-12(2,3)11(18)14-9-5-7(8(17)6-19-4)10(13)16-15-9/h5,8,17H,6H2,1-4H3,(H,14,15,18)
InChIKeyDEHWYWIFBMQXKS-UHFFFAOYSA-N
XLogP1.79
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide (CID 154642659) is N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide is COCC(O)c1cc(NC(=O)C(C)(C)C)nnc1Cl.
What is the InChIKey of N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is DEHWYWIFBMQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-12(2,3)11(18)14-9-5-7(8(17)6-19-4)10(13)16-15-9/h5,8,17H,6H2,1-4H3,(H,14,15,18).
What are the key properties of N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 287.75 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 154642659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).