2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one

C13H22ClN3O3 — CID 106162048

IUPAC2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC(CCO)COC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O3/c1-3-4-6-17-13(19)12(14)11(8-15-17)16-10(5-7-18)9-20-2/h8,10,16,18H,3-7,9H2,1-2H3
InChIKeyKVPLAUYHJXPMBW-UHFFFAOYSA-N
MW303.79 g/mol
LogP1.51
Rot. Bonds9

About 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one

2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one (PubChem CID 106162048) has the molecular formula C13H22ClN3O3 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
PubChem CID106162048
Molecular FormulaC13H22ClN3O3
Molecular Weight303.79 g/mol
Exact Mass303.13
IUPAC Name2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC(CCO)COC)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O3/c1-3-4-6-17-13(19)12(14)11(8-15-17)16-10(5-7-18)9-20-2/h8,10,16,18H,3-7,9H2,1-2H3
InChIKeyKVPLAUYHJXPMBW-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
CID 114446557
2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440306
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436918
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436331
4-chloro-5-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 106350765
4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
2-butyl-4-chloro-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one
CID 114442233

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one (CID 106162048) is 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one is CCCCn1ncc(NC(CCO)COC)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one?
The InChIKey is KVPLAUYHJXPMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3/c1-3-4-6-17-13(19)12(14)11(8-15-17)16-10(5-7-18)9-20-2/h8,10,16,18H,3-7,9H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one has a molecular weight of 303.79 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106162048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).