4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one

C11H16ClN3O2 — CID 135041057

IUPAC4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one
SMILESCN(C)c1cnn(C2CCCCO2)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-14(2)8-7-13-15(11(16)10(8)12)9-5-3-4-6-17-9/h7,9H,3-6H2,1-2H3
InChIKeySVKIMSOMOOPQNS-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.66
Rot. Bonds2

About 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one

4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 135041057) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one
PubChem CID135041057
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one
SMILESCN(C)c1cnn(C2CCCCO2)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-14(2)8-7-13-15(11(16)10(8)12)9-5-3-4-6-17-9/h7,9H,3-6H2,1-2H3
InChIKeySVKIMSOMOOPQNS-UHFFFAOYSA-N
XLogP1.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one (CID 135041057) is 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one is CN(C)c1cnn(C2CCCCO2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is SVKIMSOMOOPQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-14(2)8-7-13-15(11(16)10(8)12)9-5-3-4-6-17-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 257.72 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(dimethylamino)-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 135041057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).