4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one

C13H22ClN3O — CID 114442139

IUPAC4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)(C)CCC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O/c1-5-7-13(3,4)16-10-9-15-17(8-6-2)12(18)11(10)14/h9,16H,5-8H2,1-4H3
InChIKeyUHYIFHLBOCKQSN-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.30
Rot. Bonds6

About 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one

4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one (PubChem CID 114442139) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
PubChem CID114442139
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)(C)CCC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O/c1-5-7-13(3,4)16-10-9-15-17(8-6-2)12(18)11(10)14/h9,16H,5-8H2,1-4H3
InChIKeyUHYIFHLBOCKQSN-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(2-methylpentan-2-ylamino)-2-prop-2-enylpyridazin-3-one
CID 114442133
4-chloro-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-propylpyridazin-3-one
CID 114437191
4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
CID 114439887
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114443172
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
CID 115681090
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one (CID 114442139) is 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(C)(C)CCC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
The InChIKey is UHYIFHLBOCKQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-5-7-13(3,4)16-10-9-15-17(8-6-2)12(18)11(10)14/h9,16H,5-8H2,1-4H3.
What are the key properties of 4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one has a molecular weight of 271.79 g/mol, XLogP of 3.30, 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-methylpentan-2-ylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114442139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).