2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one

C14H24ClN3O2 — CID 114440306

IUPAC2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(CC)CCO)c(Cl)c1=O
InChIInChI=1S/C14H24ClN3O2/c1-3-5-7-18-14(20)13(15)12(10-17-18)16-9-11(4-2)6-8-19/h10-11,16,19H,3-9H2,1-2H3
InChIKeyVBICIKRBLCIWGI-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.52
Rot. Bonds9

About 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one

2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one (PubChem CID 114440306) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
PubChem CID114440306
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(CC)CCO)c(Cl)c1=O
InChIInChI=1S/C14H24ClN3O2/c1-3-5-7-18-14(20)13(15)12(10-17-18)16-9-11(4-2)6-8-19/h10-11,16,19H,3-9H2,1-2H3
InChIKeyVBICIKRBLCIWGI-UHFFFAOYSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114440326
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440323
4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]-2-prop-2-enylpyridazin-3-one
CID 114440315
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
CID 106287447
4-chloro-5-[2-(2-hydroxyethyl)pentylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106115759
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287
2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
CID 106162048
4-bromo-2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)pentylamino]pyridazin-3-one
CID 106115681
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one (CID 114440306) is 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one is CCCCn1ncc(NCC(CC)CCO)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
The InChIKey is VBICIKRBLCIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-3-5-7-18-14(20)13(15)12(10-17-18)16-9-11(4-2)6-8-19/h10-11,16,19H,3-9H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one has a molecular weight of 301.82 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one is sourced from PubChem (CID 114440306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).