4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one

C11H18ClN3O — CID 114432236

IUPAC4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
SMILESCCn1ncc(NCCC(C)C)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O/c1-4-15-11(16)10(12)9(7-14-15)13-6-5-8(2)3/h7-8,13H,4-6H2,1-3H3
InChIKeyVGXNZVREFDGWDO-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.37
Rot. Bonds5

About 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one (PubChem CID 114432236) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
PubChem CID114432236
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
SMILESCCn1ncc(NCCC(C)C)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O/c1-4-15-11(16)10(12)9(7-14-15)13-6-5-8(2)3/h7-8,13H,4-6H2,1-3H3
InChIKeyVGXNZVREFDGWDO-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
CID 114440676
4-chloro-5-(3-methylbutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432239
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-2-ethyl-5-(hex-5-ynylamino)pyridazin-3-one
CID 106214539
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 114440604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one (CID 114432236) is 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one is CCn1ncc(NCCC(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one?
The InChIKey is VGXNZVREFDGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-15-11(16)10(12)9(7-14-15)13-6-5-8(2)3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one has a molecular weight of 243.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one is sourced from PubChem (CID 114432236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).