4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one

C14H24ClN3O — CID 103462359

IUPAC4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCC(C)(C)CNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-6-14(4,5)9-16-11-7-17-18(8-10(2)3)13(19)12(11)15/h7,10,16H,6,8-9H2,1-5H3
InChIKeySXJXJSIUOCQEJK-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.40
Rot. Bonds6

About 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 103462359) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID103462359
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCC(C)(C)CNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-6-14(4,5)9-16-11-7-17-18(8-10(2)3)13(19)12(11)15/h7,10,16H,6,8-9H2,1-5H3
InChIKeySXJXJSIUOCQEJK-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 103462359) is 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one is CCC(C)(C)CNc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is SXJXJSIUOCQEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-6-14(4,5)9-16-11-7-17-18(8-10(2)3)13(19)12(11)15/h7,10,16H,6,8-9H2,1-5H3.
What are the key properties of 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 285.82 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,2-dimethylbutylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103462359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).