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

C13H22ClN3O — CID 114435329

IUPAC4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)C(C)CC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O/c1-5-7-17-13(18)12(14)11(8-15-17)16-10(4)9(3)6-2/h8-10,16H,5-7H2,1-4H3
InChIKeyYOBZFIXEVPBWPS-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.15
Rot. Bonds6

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

4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one (PubChem CID 114435329) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
PubChem CID114435329
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)C(C)CC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O/c1-5-7-17-13(18)12(14)11(8-15-17)16-10(4)9(3)6-2/h8-10,16H,5-7H2,1-4H3
InChIKeyYOBZFIXEVPBWPS-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-2-(2-hydroxyethyl)-5-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridazin-3-one
CID 114442513
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114435760
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one (CID 114435329) is 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(C)C(C)CC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
The InChIKey is YOBZFIXEVPBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-5-7-17-13(18)12(14)11(8-15-17)16-10(4)9(3)6-2/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one?
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one has a molecular weight of 271.79 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114435329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).