2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one

C15H20ClN3O2 — CID 114434723

IUPAC2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
SMILESCCCCn1ncc(NC(C)c2ccc(C)o2)c(Cl)c1=O
InChIInChI=1S/C15H20ClN3O2/c1-4-5-8-19-15(20)14(16)12(9-17-19)18-11(3)13-7-6-10(2)21-13/h6-7,9,11,18H,4-5,8H2,1-3H3
InChIKeyVQNWKQHPYNVAHF-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.77
Rot. Bonds6

About 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one

2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one (PubChem CID 114434723) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
PubChem CID114434723
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
SMILESCCCCn1ncc(NC(C)c2ccc(C)o2)c(Cl)c1=O
InChIInChI=1S/C15H20ClN3O2/c1-4-5-8-19-15(20)14(16)12(9-17-19)18-11(3)13-7-6-10(2)21-13/h6-7,9,11,18H,4-5,8H2,1-3H3
InChIKeyVQNWKQHPYNVAHF-UHFFFAOYSA-N
XLogP3.77
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434721
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
CID 114446557
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436331
2-butyl-4-chloro-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one
CID 114442233
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 113235044
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one (CID 114434723) is 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one is CCCCn1ncc(NC(C)c2ccc(C)o2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is VQNWKQHPYNVAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-5-8-19-15(20)14(16)12(9-17-19)18-11(3)13-7-6-10(2)21-13/h6-7,9,11,18H,4-5,8H2,1-3H3.
What are the key properties of 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 309.80 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114434723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).